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Prediction of thermal conductivity in CALF-20 with first-principles accuracy via machine learning interatomic potentials. S Mandal, P. K. Maiti. Communications Materials 6 (1), 22 |
2025 |
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Crystal structure manipulation to achieve better thermoelectric performance in Te-substituted GeSe. S Vishvakarma, S Mandal, A Srivastava, AK Singh, P. K. Maiti, RC Mallik. Applied Physics Letters 126 (5) |
2025 |
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Enhanced and Efficient Extraction of Uranyl Ions from Aqueous Waste through Graphene/CNT-PAMAM Nanocomposites. T Maity, Y Kumar, AKS Deb, SM Ali, P. K. Maiti. arXiv preprint arXiv:2501.13496 |
2025 |
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Freezing in flat monolayers of soft spherocylinders. . J Mandal, HH Wensink, P. K. Maiti. arXiv preprint arXiv:2501.11952 |
2025 |
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Unifying mixed gas adsorption in molecular sieve membranes and MOFs using machine learning. S Dasgupta, RS Amal, P. K. Maiti . Separation and Purification Technology 353, 128477 |
2025 |
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siRNA complexation with Galactose-Functionalized Dendrimer: PAMAM vs PETIM. T Maity, Y Kumar, P. K. Maiti. bioRxiv, 2025.01. 18.633705 |
2025 |
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Computer simulations of entropic cohesion in reversibly crosslinked polymers. R Karmakar, N Venkatareddy, M Valsecchi, P. K. Maiti , S Sastry, SK Kumar, ...Soft Matter 21 (3), 348-355 |
2025 |
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Similar structure but different thermodynamic, dielectric, and frictional properties of confined water in twisted 2D materials: MoS 2 vs. graphene. J Majumdar, S Mandal, AG Rajan, P. K. Maiti. Nanoscale |
2025 |
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Stability and conformation of DNA-hairpin in cylindrical confinement. A Upadhyaya, S Dasgupta, S Kumar, P. K. Maiti. Biophysical Chemistry 316, 107331 |
2025 |
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Using Trajectory-Extending Kinetic Monte Carlo Simulations to Reassess Membrane Selectivities for Gas Mixtures in Carbon Molecule Sieves. S Dasgupta, KG Ayappa, P. K. Maiti. 2024 AIChE Annual Meeting |
2024 |
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Deciphering Interstellar Ice Morphology: Atomistic Simulations Reveal the Complex Behavior of Ethanethiol. J Majumdar, S Nag, TS Thakur, S Yashonath, B Sivaraman, P. K. Maiti. arXiv preprint arXiv:2409.00975 |
2024 |
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Data-Driven Approaches to Predict Dendrimer Cytotoxicity. T Maity, AK Balachandran, LP Krishnamurthy, KL Nagar, ...ACS omega |
2024 |
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Amorphous 1-propanol interstellar ice beyond its melting point. R Ramachandran, A Hazarika, S Gupta, S Nag, JK Meka, TS Thakur, ...Monthly Notices of the Royal Astronomical Society 530 (1), 1027-1034 |
2024 |
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Reversing the Trend: Deciphering Self‐Assembly of Unconventional Amphiphiles Having Both Alkyl‐Chain and PEG. R Ghosh, B Singh, S Basu, A Mondal, P. K. Maiti, M De. ChemPlusChem, e202400147 |
2024 |
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Ab initio Investigation of Thermal Transport in Insulators: Unveiling the Roles of Phonon Renormalization and Higher-Order Anharmonicity. S Mandal, M Jain, P. K. Maiti. arXiv preprint arXiv:2402.02787 |
2024 |
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Self-assembly of mycolic acid in water: monolayer or bilayer. Y Kumar, S Basu, D Chatterji, A Ghosh, N Jayaraman, P. K. Maiti Langmuir |
2024 |
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Permeability of TB drugs through the mycolic acid monolayer: a tale of two force fields. S Basu, S Mandal, P. K. Maiti Physical Chemistry Chemical Physics 26 (32), 21429-21440 |
2024 |
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Dynamics of terminal fraying–peeling and hydrogen bonds dictates the sequential vs. cooperative melting pathways of nanoscale DNA and PNA triplexes. S Mandal, KN Ganesh, P. K. Maiti Nanoscale 16 (27), 13029-13040 |
2024 |
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Stability of the chiral crystal phase and breakdown of the cholesteric phase in mixtures of active–passive chiral rods. J Chattopadhyay, J Mandal, P. K. Maiti Soft Matter 20 (11), 2464-2473 |
2024 |
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DNA tetrahedral nanocages as a promising nanocarrier for dopamine delivery in neurological disorders. R Singh, K Kansara, P Yadav, S Mandal, R Varshney, S Gupta, A Kumar, ...Nanoscale 16 (32), 15158-15169 |
2024 |
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Molecular dynamics simulations show how antibodies may rescue HIV-1 mutants incapable of infecting host cells. D Rajendra, N Maroli, NM Dixit, P. K. Maiti Journal of Biomolecular Structure and Dynamics, 1-11 |
2023 |
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Trajectory-Extending Kinetic Monte Carlo Simulations to Evaluate Pure and Gas Mixture Diffusivities through a Dense Polymeric Membrane. S Dasgupta, A KS, KG Ayappa, P. K. Maiti The Journal of Physical Chemistry B 127 (45), 9841-9849 |
2023 |
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Gold nanoparticles aggregation on graphene using Reactive force field: A molecular dynamic study. V Velachi, P. K. Maiti The Journal of Chemical Physics 159 (15) |
2023 |
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Drug-bacterial membrane interactions: A tale of two force fields. S Basu, S Mandal, P. K. Maiti bioRxiv, 2023.09. 27.559676 |
2023 |
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Entropy of different phases formed by soft rods. J Chattopadhyay, ST Lin, P. K. Maiti The Journal of Chemical Physics 159 (5) |
2023 |
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Influence of the substrate on the density and infrared spectra of the adsorbed methanol ice of different thicknesses using molecular dynamics simulation. S Nag, J Majumdar, B Sivaraman, S Yashonath, P. K. Maiti Monthly Notices of the Royal Astronomical Society 522 (3), 3656-3664 |
2023 |
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C-4-Modified Isotetrones Prevent Biofilm Growth and Persister Cell Resuscitation in Mycobacterium smegmatis. K Bag, AK Pal, S Basu, M Singla, B Sarkar, D Chatterji, P. K. Maiti , A Ghosh, ...ACS omega 8 (23), 20513-20523 |
2023 |
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Efficient removal of uranyl ions using PAMAM dendrimer: simulation and experiment. T Maity, A Aggarwal, S Dasgupta, V Velachi, AK Singha Deb, SM Ali, ...Langmuir 39 (19), 6794-6802 |
2023 |
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Dipole alignment of water molecules flowing through a carbon nanotube. H Kumar, S Bera, S Dasgupta, AK Sood, C Dasgupta, P. K. Maiti Physical Review B 107 (16), 165402 |
2023 |
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Phase behavior of active and passive dumbbells. N Venkatareddy, ST Lin, P. K. Maiti Physical Review E 107 (3), 034607 |
2023 |
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Two-temperature activity induces liquid-crystal phases inaccessible in equilibrium. J Chattopadhyay, S Ramaswamy, C Dasgupta, P. K. Maiti Physical Review E 107 (2), 024701 |
2023 |
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Does twist angle affect the properties of water confined inside twisted bilayer graphene?. J Majumdar, S Dasgupta, S Mandal, M Moid, M Jain, P. K. Maiti The Journal of Chemical Physics 158 (3) |
2023 |
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DNA groove preference shift upon phosphorylation of a protamine-like cationic peptide. KB Chhetri, YH Jang, Y Lansac, P. K. Maiti Physical Chemistry Chemical Physics 25 (45), 31335-31345 |
2023 |
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Effect of confinement and topology: 2-TIPS vs. MIPS. N Venkatareddy, J Mandal, P. K. Maiti Soft Matter 19 (44), 8561-8576 |
2023 |
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rsc. li/nanoscale. D Bhatia, P. K. Maiti , X Liu, AR Chandrasekaran, KH Jin, W Jiang, G Sethi, ...Nanoscale 15, 12775-12784 |
2023 |
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Introduction to emerging concepts in nucleic acids: structures, functions and applications. D Bhatia, P. K. Maiti , X Liu, AR ChandrasekaranNanoscale |
2023 |
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Utilization of DNA and 2D metal oxide interaction for an optical biosensor. P Kumbhakar, ID Jana, S Basu, S Mandal, S Banerjee, S Roy, CC Gowda, ...Physical Chemistry Chemical Physics 25 (26), 17143-17153 |
2023 |
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Mechanistic insight into the structure, thermodynamics and dynamics of equilibrium gels of multi-armed DNA nanostars. S Naskar, D Bhatia, ST Lin, P. K. Maiti Physical Chemistry Chemical Physics 25 (11), 7847-7858 |
2023 |
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Packing and emergence of the ordering of rods in a spherical monolayer. D Rajendra, J Mandal, Y Hatwalne, P. K. Maiti Soft Matter 19 (1), 137-146 |
2023 |
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Effect of phosphorylation of protamine-like cationic peptide on the binding affinity to DNA. KB Chhetri, YH Jang, Y Lansac, P. K. Maiti Biophysical Journal 121 (24), 4830-4839 |
2022 |
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Influence of chain length on structural properties of carbon molecular sieving membranes and their effects on CO2, CH4 and N2 adsorption: A molecular simulation study. S Dasgupta, M Rajasekaran, PK Roy, FM Thakkar, AD Pathak, ...Journal of Membrane Science 664, 121044 |
2022 |
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Molecular insights into the physics of poly (amidoamine)-dendrimer-based supercapacitors. T Maity, M Gosika, TA Pascal, P. K. Maiti Physical Review Applied 18 (5), 054031 |
2022 |
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Scalable pillar [5] arene-integrated poly (arylate-amide) molecular sieve membranes to separate light gases. W Song, J Park, S Dasgupta, C Yao, N Maroli, H Behera, X Yin, ...Chemistry of Materials 34 (14), 6559-6567 |
2022 |
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Probing the microscopic structure and flexibility of oxidized DNA by molecular simulations. KB Chhetri, S Naskar, P. K. Maiti Indian Journal of Physics 96 (9), 2597-2611 |
2022 |
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Molecular Rectifiers with a Very High Rectification Ratio Enabled by Oxidative Damage in Double-Stranded DNA. A Aggarwal, S Naskar, P. K. Maiti The Journal of Physical Chemistry B 126 (25), 4636-4646 |
2022 |
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Selection of start codon during mRNA scanning in eukaryotic translation initiation. I Basu, B Gorai, T Chandran, P. K. Maiti , T HussainCommunications Biology 5 (1), 587 |
2022 |
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Diameter dependent melting and softening of dsDNA under cylindrical confinement. KB Chhetri, C Dasgupta, P. K. Maiti Frontiers in Chemistry 10, 879746 |
2022 |
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Anisotropy of the Proton Kinetic Energy as a Tool for Capturing Structural Transition in Water Confined in a Graphene Nanoslit Pore. M Moid, Y Finkelstein, R Moreh, P. K. Maiti The Journal of Physical Chemistry Letters 13 (2), 455-461 |
2022 |
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Thermodynamics and its correlation with dynamics in a mean-field model and pinned systems: A comparative study using two different methods of entropy calculation. UK Nandi, P Patel, M Moid, MK Nandi, S Sengupta, S Karmakar, P. K. Maiti , ...The Journal of Chemical Physics 156 (1) |
2022 |
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Influence of chain length on structural properties of carbon molecular sieving membranes and their effects on CO [formula omitted], CH [formula omitted] and N [formula omitted …. S Dasgupta, M Rajasekaran, PK Roy, FM Thakkar, AD Pathak, ... |
2022 |
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A computational study on strontium ion modified hydroxyapatite–fibronectin interactions. S Basu, B Basu, P. K. Maiti Physical Chemistry Chemical Physics 24 (45), 27989-28002 |
2022 |
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Tunable lattice thermal conductivity of twisted bilayer MoS 2. S Mandal, I Maity, A Das, M Jain, P. K. Maiti Physical Chemistry Chemical Physics 24 (22), 13860-13868 |
2022 |
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Graphene oxide as a dual template for induced helicity of peptides. S Pandit, N Maroli, S Naskar, B Khatri, P. K. Maiti , M DeNanoscale 14 (21), 7881-7890 |
2022 |
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Nanoscale structures and mechanics of peptide nucleic acids. KB Chhetri, A Sharma, S Naskar, P. K. Maiti Nanoscale 14 (17), 6620-6635 |
2022 |
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Mechanical Properties Of Peptide Nucleic Acids. K Chhetri, A Sharama, S Naskar, P MaitiAPS March Meeting Abstracts 2022, G18. 011 |
2022 |
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Two-temperature activity drives liquid-crystal and crystalline order in soft repulsive spherocylinders. J Chattopadhyay, S Pannir-Sivajothi, K Varma, S Ramaswamy, ...APS March Meeting Abstracts 2022, M20. 005 |
2022 |
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Dipole Alignment of Water Molecules Flowing Through a Carbon Nanotube. C Dasgupta, H Kumar, S Bera, S Dasgupta, A Sood, P MaitiAPS March Meeting Abstracts 2022, Q26. 008 |
2022 |
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Role of entropy in determining the phase behavior of protein solutions induced by multivalent ions. AK Sahoo, F Schreiber, RR Netz, P. K. Maiti Soft Matter 18 (3), 592-601 |
2022 |
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Ultra-high permeable phenine nanotube membranes for water desalination. S Naskar, AK Sahoo, M Moid, P. K. Maiti Physical Chemistry Chemical Physics 24 (18), 11196-11205 |
2022 |
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Designer DNA hydrogels stimulate 3D cell invasion by enhanced receptor expression and membrane endocytosis. S Walia, V Morya, A Gangrade, S Naskar, A Guduru Teja, S Dalvi, ...ACS Biomaterials Science & Engineering 7 (12), 5933-5942 |
2021 |
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Heating leads to liquid-crystal and crystalline order in a two-temperature active fluid of rods. J Chattopadhyay, S Pannir-Sivajothi, K Varma, S Ramaswamy, ...Physical Review E 104 (5), 054610 |
2021 |
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A minimal coarse-grained model to study the gelation of multi-armed DNA nanostars. S Naskar, D Bhatia, ST Lin, P. K. Maiti arXiv preprint arXiv:2110.11251 |
2021 |
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Quantum circuit rules for molecular electronic Systems: where are we headed based on the current understanding of quantum interference, thermoelectric, and molecular …. A Aggarwal, V Kaliginedi, P. K. Maiti Nano Letters 21 (20), 8532-8544 |
2021 |
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Computational study on Strontium ion modified Fibronectin-Hydroxyapatite interaction. S Basu, B Basu, P. K. Maiti bioRxiv, 2021.09. 23.461618 |
2021 |
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Anisotropy of the proton kinetic energy as a tool for capturing structural transition in nanoconfined HO. M Moid, Y Finkelstein, R Moreh, P. K. Maiti arXiv preprint arXiv:2109.11175 |
2021 |
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Phase behavior of active and passive dumbbells. ST Lin, P. K. Maiti arXiv preprint arXiv:2109.00415 |
2021 |
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Protamine-Controlled reversible DNA packaging: a molecular glue. A Mukherjee, A De Izarra, J Degrouard, E Olive, P. K. Maiti , YH Jang, ...ACS nano 15 (8), 13094-13104 |
2021 |
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High purity separation of n-pentane from neopentane using a nano-crystal of zeolite Y. S Nag, G Ananthakrishna, P. K. Maiti , Y SubramanianThe Journal of Chemical Physics 155 (1) |
2021 |
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Dielectric profile and electromelting of a monolayer of water confined in graphene slit pore. J Majumdar, M Moid, C Dasgupta, P. K. Maiti The Journal of Physical Chemistry B 125 (24), 6670-6680 |
2021 |
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Hydrophobic Gating and 1/f Noise of the Anthrax Toxin Channel. G Yamini, S Kanchi, N Kalu, S Momben Abolfath, SH Leppla, KG Ayappa, ...The Journal of Physical Chemistry B 125 (21), 5466-5478 |
2021 |
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Dimensionality dependence of the Kauzmann temperature: A case study using bulk and confined water. M Moid, S Sastry, C Dasgupta, TA Pascal, P. K. Maiti The Journal of Chemical Physics 154 (16) |
2021 |
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Efficient facilitated transport PETIM dendrimer-PVA-PEG/PTFE composite flat-bed membranes for selective removal of CO2. S Kunalan, K Dey, PK Roy, V Velachi, P. K. Maiti , K Palanivelu, ...Journal of Membrane Science 622, 119007 |
2021 |
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Reconstruction of moiré lattices in twisted transition metal dichalcogenide bilayers. I Maity, P. K. Maiti , HR Krishnamurthy, M JainPhysical Review B 103 (12), L121102 |
2021 |
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Fine-tuning the DNA conductance by intercalation of drug molecules. A Aggarwal, AK Sahoo, S Bag, V Kaliginedi, M Jain, P. K. Maiti Physical Review E 103 (3), 032411 |
2021 |
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Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile: In Honor of William A. Goddard’s Contributions to Science and Engineering. S Shankar, R Muller, T Dunning, GH ChenSpringer Nature |
2021 |
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Electric field-mediated fibronectin–hydroxyapatite interaction: a molecular insight. S Basu, B Gorai, B Basu, P. K. Maiti The Journal of Physical Chemistry B 125 (1), 3-16 |
2021 |
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Predicting interfacial hot-spot residues that stabilize protein-protein interfaces in oligomeric membrane-toxin pores through hydrogen bonds and salt bridges. R Desikan, P. K. Maiti , KG AyappaJournal of Biomolecular Structure and Dynamics 39 (1), 20-34 |
2021 |
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Mechanistic insights into the effects of key mutations on SARS-CoV-2 RBD–ACE2 binding. A Aggarwal, S Naskar, N Maroli, B Gorai, NM Dixit, P. K. Maiti Physical Chemistry Chemical Physics 23 (46), 26451-26458 |
2021 |
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Separating a linear C 5 hydrocarbon from a branched C 6 hydrocarbon: n-pentane from 2, 2-dimethyl butane using levitation and blow torch effects. S Nag, P. K. Maiti , S YashonathPhysical Chemistry Chemical Physics 23 (33), 18102-18111 |
2021 |
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Mechanical properties of DNA and DNA nanostructures: Comparison of atomistic, Martini and oxDNA models. S Naskar, P. K. Maiti Journal of Materials Chemistry B 9 (25), 5102-5113 |
2021 |
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Dendrimers: A novel nanomaterial. D Pramanik, S Kanchi, KG Ayappa, P. K. Maiti Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives … |
2021 |
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Using multiscale molecular dynamics simulations to obtain insights into pore forming toxin mechanisms. R Desikan, A Behera, P. K. Maiti , KG AyappaMethods in Enzymology 649, 461-502 |
2021 |
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DNA translocation through vertically stacked 2D layers of graphene and hexagonal boron nitride heterostructure nanopore. R Balasubramanian, S Pal, A Rao, A Naik, B Chakraborty, P. K. Maiti , ...ACS Applied Bio Materials 4 (1), 451-461 |
2020 |
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Concerted interactions between multiple gp41 trimers and the target cell lipidome may be required for HIV-1 entry. B Gorai, AK Sahoo, A Srivastava, NM Dixit, P. K. Maiti Journal of Chemical Information and Modeling 61 (1), 444-454 |
2020 |
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Insight into the mechanism of carrier-mediated delivery of siRNA in the cell membrane using MD simulation. I Basu, P. K. Maiti Langmuir 37 (1), 266-277 |
2020 |
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Predicting the DNA conductance using a deep feedforward neural network model. A Aggarwal, V Vinayak, S Bag, C Bhattacharyya, UV Waghmare, P. K. Maiti Journal of Chemical Information and Modeling 61 (1), 106-114 |
2020 |
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Investigations on 6FDA/BPDA-DAM polymer melt properties and CO2 adsorption using molecular dynamics simulations. PK Roy, K Kumar, FM Thakkar, AD Pathak, KG Ayappa, P. K. Maiti Journal of Membrane Science 613, 118377 |
2020 |
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DNA condensation induced by basic proteins. Y Lansac, F Piazza, P. K. Maiti , G Tresset, YH Jang |
2020 |
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What do we know about DNA mechanics so far?. A Aggarwal, S Naskar, AK Sahoo, S Mogurampelly, A Garai, P. K. Maiti Current opinion in structural biology 64, 42-50 |
2020 |
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Machine learning prediction of electronic coupling between the guanine bases of DNA. S Bag, A Aggarwal, P. K. Maiti The Journal of Physical Chemistry A 124 (38), 7658-7664 |
2020 |
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DNA versus RNA--which shows higher electronic conduction?. A Aggarwal, S Bag, R Venkatramani, M Jain, P. K. Maiti arXiv preprint arXiv:2007.11309 |
2020 |
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Covalent functionalization of graphene with PAMAM dendrimer and its implications on graphene’s dispersion and cytotoxicity. M Gosika, V Velachi, MNDS Cordeiro, P. K. Maiti ACS Applied Polymer Materials 2 (8), 3587-3600 |
2020 |
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Anisotropic Charge Transport in Nanoscale DNA Wire. S Bag, T Biswas, M Jain, P. K. Maiti The Journal of Physical Chemistry C 124 (31), 16763-16772 |
2020 |
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Separating hydrocarbon mixtures by driving the components in opposite directions: High degree of separation factor and energy efficiency. S Nag, G Ananthakrishna, P. K. Maiti , S YashonathPhysical Review Letters 124 (25), 255901 |
2020 |
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Prediction and validation of HIV-1 gp41 ecto-transmembrane domain post-fusion trimeric structure using molecular modeling. B Gorai, S Das, P. K. Maiti Journal of Biomolecular Structure and Dynamics 38 (9), 2592-2603 |
2020 |
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Modulating Interdendrimer Interactions through Surface Adsorption. M Gosika, T Mandal, P. K. Maiti Langmuir 36 (20), 5492-5501 |
2020 |
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Thermodynamics of Binding of Charged Dendrimers to Graphene: Simulation and Theory. M Gosika, S Sen, A Kundagrami, P MaitiBulletin of the American Physical Society 65 |
2020 |
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Scalar activity induced phase separation and liquid–solid transition in a Lennard-Jones system. C Dasgupta, S Chari, P MaitiBulletin of the American Physical Society 65 |
2020 |
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Phonons in Twisted Transition Metal Dichalcogenide Bilayers (“Twistnonics”): Ultra-soft Phasons, and a transition from Superlubric to Pinned Phase. I Maity, M Naik, P Maiti, S Ramaswamy, H Krishnamurthy, M JainBulletin of the American Physical Society 65 |
2020 |
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Charge Transport Properties of Biomolecules. A Aggarwal, S BAG, R Venkatramani, M Jain, P MaitiBulletin of the American Physical Society 65 |
2020 |
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Microscopic study of proton kinetic energy anomaly for confined water. M Moid, Y Finkelstein, R Moreh, P MaitiBulletin of the American Physical Society 65 |
2020 |
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Structural and mechanical properties of nucleic acid nanotubes: A combined all-atom and coarse-grained molecular dynamics study. S Naskar, H Joshi, M Gosika, B Chakraborty, N Seeman, P MaitiBulletin of the American Physical Society 65 |
2020 |
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Phonons in twisted transition-metal dichalcogenide bilayers: Ultrasoft phasons and a transition from a superlubric to a pinned phase. I Maity, MH Naik, P. K. Maiti , HR Krishnamurthy, M JainPhysical Review Research 2 (1), 013335 |
2020 |
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Multiscale modelling reveals higher charge transport efficiencies of DNA relative to RNA independent of mechanism. A Aggarwal, S Bag, R Venkatramani, M Jain, P. K. Maiti Nanoscale 12 (36), 18750-18760 |
2020 |
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Liquid crystal ordering of nucleic acids. S Naskar, S Saurabh, YH Jang, Y Lansac, P. K. Maiti Soft Matter 16 (3), 634-641 |
2020 |
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Orientation dependence of inter-NCP interaction: insights into the behavior of liquid crystal phase and chromatin fiber organization. S Saurabh, YH Jang, Y Lansac, P. K. Maiti The Journal of Physical Chemistry B 124 (2), 314-323 |
2019 |
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Size-dependent interaction of hydrophilic/hydrophobic ligand functionalized cationic and anionic nanoparticles with lipid bilayers. UK Basak, C Roobala, JK Basu, P. K. Maiti Journal of Physics: Condensed Matter 32 (10), 104003 |
2019 |
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Microscopic study of proton kinetic energy anomaly for nanoconfined water. M Moid, Y Finkelstein, R Moreh, P. K. Maiti The Journal of Physical Chemistry B 124 (1), 190-198 |
2019 |
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Understanding enhanced mechanical stability of DNA in the presence of intercalated anticancer drug: Implications for DNA associated processes. AK Sahoo, B Bagchi, P. K. Maiti The Journal of chemical physics 151 (16) |
2019 |
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AnIn silicoAlgorithm for Identifying Amino Acids that Stabilize Oligomeric Membrane-Toxin Pores through Electrostatic Interactions. R Desikan, P. K. Maiti , KG Ayappa |
2019 |
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An In silico Algorithm for Identifying Amino Acids that Stabilize Oligomeric Membrane-Toxin Pores through Electrostatic Interactions. R Desikan, P. K. Maiti , KG AyappabioRxiv, 716969 |
2019 |
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Understanding the thermodynamics of the binding of pamam dendrimers to graphene: A combined analytical and simulation study. M Gosika, S Sen, A Kundagrami, P. K. Maiti Langmuir 35 (28), 9219-9232 |
2019 |
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Low frequency modes in twisted flatland: Ultra-soft modes, superlubricity to strong pinning. I Maity, MH Naik, P. K. Maiti , S Ramaswamy, HR Krishnamurthy, M JainarXiv preprint arXiv:1905.11538 |
2019 |
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DNA translocation through hybrid bilayer nanopores. R Balasubramanian, S Pal, H Joshi, A Rao, A Naik, M Varma, ...The Journal of Physical Chemistry C 123 (18), 11908-11916 |
2019 |
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Kolmogorov–Crespi potential for multilayer transition-metal dichalcogenides: capturing structural transformations in moiré superlattices. MH Naik, I Maity, P. K. Maiti , M JainThe Journal of Physical Chemistry C 123 (15), 9770-9778 |
2019 |
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Tuning the Stability of DNA Nanotubes with Salt. S Naskar, M Gosika, H Joshi, P. K. Maiti The Journal of Physical Chemistry C 123 (14), 9461-9470 |
2019 |
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Unfolding dynamics of ubiquitin from constant force MD simulation: Entropy–enthalpy interplay shapes the free-energy landscape. AK Sahoo, B Bagchi, P. K. Maiti The Journal of Physical Chemistry B 123 (6), 1228-1236 |
2019 |
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Tuning molecular fluctuation to boost the conductance in DNA based molecular wires. S Bag, P. K. Maiti Physical Chemistry Chemical Physics 21 (42), 23514-23520 |
2019 |
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Scalar activity induced phase separation and liquid–solid transition in a Lennard-Jones system. SSN Chari, C Dasgupta, P. K. Maiti Soft matter 15 (36), 7275-7285 |
2019 |
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Atomic structures of RNA nanotubes and their comparison with DNA nanotubes. S Naskar, H Joshi, B Chakraborty, NC Seeman, P. K. Maiti Nanoscale 11 (31), 14863-14878 |
2019 |
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Efficient computation of entropy and other thermodynamic properties for two-dimensional systems using two-phase thermodynamic model. SS Pannir Sivajothi, ST Lin, P. K. Maiti The Journal of Physical Chemistry B 123 (1), 180-193 |
2018 |
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Using Molecular Dynamics Simulations to Assess the Structure and Stability of Transmembrane Oligomeric Intermediates of Pore Forming Proteins. R Desikan, A Behera, P. K. Maiti , KG Ayappa2018 AIChE Annual Meeting |
2018 |
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Phase transition in monolayer water confined in janus nanopore. H Kumar, C Dasgupta, P. K. Maiti Langmuir 34 (40), 12199-12205 |
2018 |
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DNA Detection Using Programmed Bilayer Nanopores. R Balasubramanian, S Pal, H Joshi, B Chakraborty, A Naik, M Varma, ... |
2018 |
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Ionic liquids make DNA rigid. A Garai, D Ghoshdastidar, S Senapati, P. K. Maiti The Journal of chemical physics 149 (4) |
2018 |
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Dendrimer interactions with lipid bilayer: comparison of force field and effect of implicit vs explicit solvation. S Kanchi, M Gosika, KG Ayappa, P. K. Maiti Journal of chemical theory and computation 14 (7), 3825-3839 |
2018 |
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Temperature-dependent layer breathing modes in two-dimensional materials. I Maity, P. K. Maiti , M JainPhysical Review B 97 (16), 161406 |
2018 |
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Structure and electrical properties of DNA nanotubes embedded in lipid bilayer membranes. H Joshi, P. K. Maiti Nucleic Acids Research 46 (5), 2234-2242 |
2018 |
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Translocation of bioactive molecules through carbon nanotubes embedded in the lipid membrane. AK Sahoo, S Kanchi, T Mandal, C Dasgupta, P. K. Maiti ACS applied materials & interfaces 10 (7), 6168-6179 |
2018 |
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Assessing the Structure of Transmembrane Oligomeric Intermediates of an α‑Helical Toxin using Molecular Dynamics Simulations. R Desikan, G Ayappa, P. K. Maiti Biophysical Journal 114 (3), 75a |
2018 |
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Using Molecular Dynamics Simulations to Assess the Structure and Stability of Transmembrane Oligomeric Intermediates of Pore Forming Proteins. KG Ayappa, R Desikan, A Behera, P. K. Maiti |
2018 |
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Remarkable similarity of force induced dsRNA conformational changes to stretched dsDNA and their detection using electrical measurements. A Aggarwal, S Bag, P. K. Maiti Physical Chemistry Chemical Physics 20 (45), 28920-28928 |
2018 |
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Opening of large band gaps in metallic carbon nanotubes by mannose-functionalized dendrimers: experiments and theory. KS Vasu, D Pramanik, S Kundu, S Sridevi, N Jayaraman, M Jain, P. K. Maiti , ...Journal of Materials Chemistry C 6 (24), 6483-6488 |
2018 |
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pH and generation dependent morphologies of PAMAM dendrimers on a graphene substrate. M Gosika, P. K. Maiti Soft Matter 14 (10), 1925-1938 |
2018 |
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Ultrahigh charge carrier mobility in nanotube encapsulated coronene stack. S Bag, P. K. Maiti Physical Review B 96 (24), 245401 |
2017 |
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Overstretching of B-DNA with various pulling protocols: Appearance of structural polymorphism and S-DNA. A Garai, S Mogurampelly, S Bag, P. K. Maiti The Journal of chemical physics 147 (22) |
2017 |
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Assessing the structure and stability of transmembrane oligomeric intermediates of an α-helical toxin. R Desikan, P. K. Maiti , KG AyappaLangmuir 33 (42), 11496-11510 |
2017 |
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DNA-assisted dispersion of carbon nanotubes and comparison with other dispersing agents. D Pramanik, P. K. Maiti ACS applied materials & interfaces 9 (40), 35287-35296 |
2017 |
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Confined water: structure, dynamics, and thermodynamics. S Chakraborty, H Kumar, C Dasgupta, P. K. Maiti Accounts of chemical research 50 (9), 2139-2146 |
2017 |
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Comparison of coarse-grained (MARTINI) and atomistic molecular dynamics simulations of and toxin nanopores in lipid membranes. R Desikan, SM Patra, K Sarthak, P. K. Maiti , KG AyappaJournal of Chemical Sciences 129 (7), 1017-1030 |
2017 |
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Understanding the origin of liquid crystal ordering of ultrashort double-stranded DNA. S Saurabh, Y Lansac, YH Jang, MA Glaser, NA Clark, P. K. Maiti Physical Review E 95 (3), 032702 |
2017 |
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PAMAM dendrimer: a pH-controlled nanosponge. P. K. Maiti Canadian Journal of Chemistry 95 (9), 991-998 |
2017 |
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Probing the structure and in silico stability of cargo loaded DNA icosahedra using MD simulations. H Joshi, D Bhatia, Y Krishnan, P. K. Maiti Nanoscale 9 (13), 4467-4477 |
2017 |
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Atomistic and Coarse‐Grained Simulation of Liquid Crystals. S Bag, S Saurabh, Y Lansac, P. K. Maiti Self‐Assembling Systems: Theory and Simulation, 320-352 |
2016 |
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Quantum dot-loaded monofunctionalized DNA icosahedra for single-particle tracking of endocytic pathways. D Bhatia, S Arumugam, M Nasilowski, H Joshi, C Wunder, V Chambon, ...Nature nanotechnology 11 (12), 1112-1119 |
2016 |
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Energetics of dendrimer binding to HIV-1 gp120-CD4 complex and mechanismic aspects of its role as an entry-inhibitor. S Saurabh, AK Sahoo, P. K. Maiti Journal of Physics: Conference Series 759 (1), 012020 |
2016 |
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Atomic level insights into realistic molecular models of dendrimer-drug complexes through MD simulations. V Jain, P. K. Maiti , PV BharatamThe Journal of Chemical Physics 145 (12) |
2016 |
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Charge transport in dendrimer melts using multiscale modeling simulation. S Bag, M Jain, P. K. Maiti The Journal of Physical Chemistry B 120 (34), 9142-9151 |
2016 |
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Nanoscale structure and elasticity of pillared DNA nanotubes. H Joshi, A Kaushik, NC Seeman, P. K. Maiti ACS nano 10 (8), 7780-7791 |
2016 |
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Atomistic simulation of stacked nucleosome core particles: tail bridging, the H4 tail, and effect of hydrophobic forces. S Saurabh, MA Glaser, Y Lansac, P. K. Maiti The Journal of Physical Chemistry B 120 (12), 3048-3060 |
2016 |
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Dendrimer assisted dispersion of carbon nanotubes: a molecular dynamics study. D Pramanik, P. K. Maiti Soft Matter 12 (41), 8512-8520 |
2016 |
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Dramatic changes in DNA conductance with stretching: structural polymorphism at a critical extension. S Bag, S Mogurampelly, WA Goddard III, P. K. Maiti Nanoscale 8 (35), 16044-16052 |
2016 |
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pH controlled gating of toxic protein pores by dendrimers. T Mandal, S Kanchi, KG Ayappa, P. K. Maiti Nanoscale 8 (26), 13045-13058 |
2016 |
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Molecular dynamics study of the structure, flexibility, and hydrophilicity of PETIM dendrimers: a comparison with PAMAM dendrimers. S Kanchi, G Suresh, UD Priyakumar, KG Ayappa, P. K. Maiti The Journal of Physical Chemistry B 119 (41), 12990-13001 |
2015 |
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Molecular structure of the discotic liquid crystalline phase of hexa-peri-hexabenzocoronene/oligothiophene hybrid and their charge transport properties. S Bag, V Maingi, P. K. Maiti , J Yelk, MA Glaser, DM Walba, NA ClarkThe Journal of Chemical Physics 143 (14) |
2015 |
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Reconstruction of the disassembly pathway of an icosahedral viral capsid and shape determination of two successive intermediates. D Law-Hine, AK Sahoo, V Bailleux, M Zeghal, S Prevost, P. K. Maiti , ...The Journal of Physical Chemistry Letters 6 (17), 3471-3476 |
2015 |
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DNA elasticity from short DNA to nucleosomal DNA. A Garai, S Saurabh, Y Lansac, P. K. Maiti The journal of physical chemistry B 119 (34), 11146-11156 |
2015 |
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Differential dynamics of the serotonin1A receptor in membrane bilayers of varying cholesterol content revealed by all atom molecular dynamics simulation. SM Patra, S Chakraborty, G Shahane, X Prasanna, D Sengupta, P. K. Maiti , ...Molecular membrane biology 32 (4), 127-137 |
2015 |
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Driving force of water entry into hydrophobic channels of carbon nanotubes: entropy or energy?. H Kumar, C Dasgupta, P. K. Maiti Molecular Simulation 41 (5-6), 504-511 |
2015 |
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Self assembly and kinetic pathways of pore forming toxins in supported lipid bilayers. R Desikan, A Agrawal, P Satyanarayana, P Maiti, J Basu, S Visveswariah, ...ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 249 |
2015 |
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Tunable mechanical and thermal properties of ZnS/CdS core/shell nanowires. T Mandal, C Dasgupta, P. K. Maiti Physical Review B 91 (10), 104107 |
2015 |
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Comparison of Activation Energy and Pore Dynamics in Liquid and Gel Phases of Electroporated Lipid Bilayers using Temperature Dependent MD Simulations. AK Majhi, S Kanchi, V Venkataraman, G Ayappa, P MaitiBiophysical Journal 108 (2), 315a-316a |
2015 |
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Structure, Dynamics and Thermodynamics of Single-file Water Under Confinement: Effects of Polarizability of Water Molecules. H Kumar, C Dasgupta, P. K. Maiti RSC Advances 5 (3), 1893-1901 |
2015 |
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The SPL7013 dendrimer destabilizes the HIV-1 gp120–CD4 complex. B Nandy, S Saurabh, AK Sahoo, NM Dixit, P. K. Maiti Nanoscale 7 (44), 18628-18641 |
2015 |
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A galactose-functionalized dendritic siRNA-nanovector to potentiate hepatitis C inhibition in liver cells. A Lakshminarayanan, BU Reddy, N Raghav, VK Ravi, A Kumar, P. K. Maiti , ...Nanoscale 7 (40), 16921-16931 |
2015 |
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Estimation of activation energy for electroporation and pore growth rate in liquid crystalline and gel phases of lipid bilayers using molecular dynamics simulations. AK Majhi, S Kanchi, V Venkataraman, KG Ayappa, P. K. Maiti Soft matter 11 (44), 8632-8640 |
2015 |
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Molecular mechanism of water permeation in a helium impermeable graphene and graphene oxide membrane. N Raghav, S Chakraborty, P. K. Maiti Physical Chemistry Chemical Physics 17 (32), 20557-20562 |
2015 |
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One-step synthesis of a cyclic 2, 17-dioxo [3, 3](4, 4′) biphenylophane and first preparation of a microporous polymer network from a macrocyclic precursor by cyclotrimerization. SK Samanta, E Preis, CW Lehmann, R Goddard, S Bag, P. K. Maiti , ...Chemical Communications 51 (43), 9046-9049 |
2015 |
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Structure, stability and elasticity of DNA nanotubes. H Joshi, A Dwaraknath, P. K. Maiti Physical Chemistry Chemical Physics 17 (2), 1424-1434 |
2015 |
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Nature of the effective interaction between dendrimers. T Mandal, C Dasgupta, P. K. Maiti The Journal of Chemical Physics 141 (14) |
2014 |
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DNA assisted self-assembly of PAMAM dendrimers. T Mandal, MVS Kumar, P. K. Maiti The Journal of Physical Chemistry B 118 (40), 11805-11815 |
2014 |
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Handbook Of Carbon Nano Materials (Volumes 5-6). KM Kadish, F D'souza |
2014 |
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Laterally structured ripple and square phases with one and two dimensional thickness modulations in a model bilayer system. A Debnath, FM Thakkar, P. K. Maiti , V Kumaran, KG AyappaSoft Matter 10 (38), 7630-7637 |
2014 |
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A new microscopic insight into membrane penetration and reorganization by PETIM dendrimers. R Bhattacharya, S Kanchi, C Roobala, A Lakshminarayanan, OH Seeck, ...Soft Matter 10 (38), 7577-7587 |
2014 |
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Graphene and Carbon Nanotube-Based Nanomaterial: Application in Biomedical and Energy Research. H Kumar, D Pramanik, S Mogurampelly, V Vasumathi, B Nandy, P. K. Maiti Handbook of Carbon Nano Materials: Graphene—Energy and Sensor Applications … |
2014 |
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Lysis dynamics and membrane oligomerization pathways for Cytolysin A (ClyA) pore-forming toxin. MS Vaidyanathan, P Sathyanarayana, P. K. Maiti , SS Visweswariah, ...RSC Advances 4 (10), 4930-4942 |
2014 |
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Efficient dendrimer–DNA complexation and gene delivery vector properties of nitrogen-core poly (propyl ether imine) dendrimer in mammalian cells. A Lakshminarayanan, VK Ravi, R Tatineni, Y Rajesh, V Maingi, KS Vasu, ...Bioconjugate Chemistry 24 (9), 1612-1623 |
2013 |
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Simulations reveal that the HIV-1 gp120-CD4 complex dissociates via complex pathways and is a potential target of the polyamidoamine (PAMAM) dendrimer. B Nandy, DH Bindu, NM Dixit, P. K. Maiti The Journal of chemical physics 139 (2) |
2013 |
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Engineering gold nanoparticle interaction by PAMAM dendrimer. T Mandal, C Dasgupta, P. K. Maiti The Journal of Physical Chemistry C 117 (26), 13627-13636 |
2013 |
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Elasticity of DNA and the effect of dendrimer binding. S Mogurampelly, B Nandy, RR Netz, P. K. Maiti The European Physical Journal E 36, 1-9 |
2013 |
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Molecular dynamics study of the Cytolysin A pore forming toxin using atomistic and coarse grained simulations. SM Patra, R Desikan, P. K. Maiti , G AyappaAbstracts of Papers-American Chemical Society 245 |
2013 |
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Translocation and encapsulation of siRNA inside carbon nanotubes. S Mogurampelly, P. K. Maiti The Journal of Chemical Physics 138 (3) |
2013 |
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Force biased molecular dynamics simulation study of effect of dendrimer generation on interaction with DNA. B Nandy, P. K. Maiti , A BunkerJournal of Chemical Theory and Computation 9 (1), 722-729 |
2013 |
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Simulation of Influence of Bilayer Melting on Dynamics and Thermodynamics<? format?> of Interfacial Water. A Debnath, KG Ayappa, P. K. Maiti Physical Review Letters 110 (1), 018303 |
2013 |
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Confinement induced stochastic sensing of charged coronene and perylene aggregates in α-hemolysin nanochannels. R Shivanna, D Pramanik, H Kumar, KV Rao, SJ George, P. K. Maiti , ...Soft Matter 9 (42), 10196-10202 |
2013 |
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Molecular dynamics simulations of PPI dendrimer–drug complexes. V Jain, V Maingi, P. K. Maiti , PV BharatamSoft Matter 9 (28), 6482-6496 |
2013 |
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Structure of a carbon nanotube–dendrimer composite. V Vasumathi, D Pramanik, AK Sood, P. K. Maiti Soft Matter 9 (4), 1372-1380 |
2013 |
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Role of specific cations and water entropy on the stability of branched DNA motif structures. TA Pascal, WA Goddard III, P. K. Maiti , N VaidehiThe Journal of Physical Chemistry B 116 (40), 12159-12167 |
2012 |
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Dendrimer building toolkit: Model building and characterization of various dendrimer architectures. V Maingi, V Jain, PV Bharatam, P. K. Maiti Journal of computational chemistry 33 (25), 1997-2011 |
2012 |
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Unraveling siRNA unzipping kinetics with graphene. S Mogurampelly, S Panigrahi, D Bhattacharyya, AK Sood, P. K. Maiti The Journal of Chemical Physics 137 (5) |
2012 |
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Mechanical properties of ZnS nanowires and thin films: Microscopic origin of the dependence on size and growth direction. T Mandal, P. K. Maiti , C DasguptaPhysical Review B—Condensed Matter and Materials Physics 86 (2), 024101 |
2012 |
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Interaction of nucleic acids with carbon nanotubes and dendrimers. B Nandy, M Santosh, P. K. Maiti Journal of biosciences 37, 457-474 |
2012 |
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Transport in nanoporous zeolites: Relationships between sorbate size, entropy, and diffusivity. BJ Borah, P. K. Maiti , C Chakravarty, S YashonathThe Journal of chemical physics 136 (17) |
2012 |
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PAMAM dendrimer–drug interactions: effect of pH on the binding and release pattern. V Maingi, MVS Kumar, P. K. Maiti The Journal of Physical Chemistry B 116 (14), 4370-4376 |
2012 |
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Molecular dynamics study of Cytolysin A pore forming toxin in a lipid bilayer membrane. S Patra, P. K. Maiti , G AyappaABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 243 |
2012 |
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Unzipping and binding of small interfering RNA with single walled carbon nanotube: a platform for small interfering RNA delivery. M Santosh, S Panigrahi, D Bhattacharyya, AK Sood, P. K. Maiti The Journal of chemical physics 136 (6) |
2012 |
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Unraveling siRNA unzipping kinetics with graphene. M Santosh, S Panigrahi, D Bhattacharyya, AK Sood, P. K. Maiti The Journal of Chemical Physics 137 (5), 054903 |
2012 |
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Structure of DNA-functionalized dendrimer nanoparticles. MVS Kumar, P. K. Maiti Soft Matter 8 (6), 1893-1900 |
2012 |
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Structural rigidity of paranemic crossover and juxtapose DNA nanostructures. M Santosh, P. K. Maiti Biophysical Journal 101 (6), 1393-1402 |
2011 |
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Absolute entropy and energy of carbon dioxide using the two-phase thermodynamic model. SN Huang, TA Pascal, WA Goddard III, P. K. Maiti , ST LinJournal of chemical theory and computation 7 (6), 1893-1901 |
2011 |
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Thermodynamics of water entry in hydrophobic channels of carbon nanotubes. H Kumar, B Mukherjee, ST Lin, C Dasgupta, AK Sood, P. K. Maiti The Journal of chemical physics 134 (12) |
2011 |
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Interaction of single-walled carbon nanotubes with poly (propyl ether imine) dendrimers. G Jayamurugan, KS Vasu, YBRD Rajesh, S Kumar, V Vasumathi, ...The Journal of chemical physics 134 (10) |
2011 |
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DNA compaction by a dendrimer. B Nandy, P. K. Maiti The Journal of Physical Chemistry B 115 (2), 217-230 |
2011 |
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Introduction to molecular dynamics simulation. H Kumar, P. K. Maiti Computational Statistical Physics: Lecture Notes, Guwahati SERC School, 298 |
2011 |
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Verifying scalings for bending rigidity of bilayer membranes using mesoscale models. FM Thakkar, P. K. Maiti , V Kumaran, KG AyappaSoft Matter 7 (8), 3963-3966 |
2011 |
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Biopolymers in nanopores: challenges and opportunities. H Kumar, Y Lansac, MA Glaser, P. K. Maiti Soft Matter 7 (13), 5898-5907 |
2011 |
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Entropy and dynamics of water in hydration layers of a bilayer. A Debnath, B Mukherjee, KG Ayappa, P. K. Maiti , ST LinThe Journal of Chemical Physics 133 (17) |
2010 |
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Complexation of siRNA with dendrimer: a molecular modeling approach. V Vasumathi, P. K. Maiti Macromolecules 43 (19), 8264-8274 |
2010 |
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Two-phase thermodynamic model for efficient and accurate absolute entropy of water from molecular dynamics simulations. ST Lin, P. K. Maiti , WA Goddard IIIThe Journal of Physical Chemistry B 114 (24), 8191-8198 |
2010 |
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Single-file diffusion of water inside narrow carbon nanorings. B Mukherjee, P. K. Maiti , C Dasgupta, AK SoodACS nano 4 (2), 985-991 |
2010 |
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Diffusion of flexible, charged, nanoscopic molecules in solution: Size and pH dependence for PAMAM dendrimer. P. K. Maiti , B BagchiThe Journal of chemical physics 131 (21) |
2009 |
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Coarse-grained molecular dynamics simulation of the aggregation properties of multiheaded cationic surfactants in water. SK Samanta, S Bhattacharya, P. K. Maiti The Journal of Physical Chemistry B 113 (41), 13545-13550 |
2009 |
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Reorientation of water inside carbon nanorings by large angular jumps. B Mukherjee, P. K. Maiti , C Dasgupta, AK SoodJournal of Nanoscience and Nanotechnology 9 (9), 5303-5306 |
2009 |
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Elastic properties of boron nitride nanotubes and their comparison with carbon nanotubes. M Santosh, P. K. Maiti , AK SoodJournal of nanoscience and nanotechnology 9 (9), 5425-5430 |
2009 |
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The influence of bilayer composition on the gel to liquid crystalline transition. A Debnath, KG Ayappa, V Kumaran, P. K. Maiti The Journal of Physical Chemistry B 113 (31), 10660-10668 |
2009 |
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Jump reorientation of water molecules confined in narrow carbon nanotubes. B Mukherjee, P. K. Maiti , C Dasgupta, AK SoodThe Journal of Physical Chemistry B 113 (30), 10322-10330 |
2009 |
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The poly dA helix: a new structural motif for high performance DNA-based molecular switches. S Chakraborty, S Sharma, P. K. Maiti , Y KrishnanNucleic acids research 37 (9), 2810-2817 |
2009 |
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Structure of polyamidoamide dendrimers up to limiting generations: A mesoscale description. P. K. Maiti , Y Li, T Cagin, WA GoddardThe Journal of chemical physics 130 (14) |
2009 |
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Binding of DNA nucleobases and nucleosides with graphene. N Varghese, U Mogera, A Govindaraj, A Das, P. K. Maiti , AK Sood, ...ChemPhysChem 10 (1), 206-210 |
2009 |
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Computer simulation of liquid crystals. P. K. Maiti , VA Kumar, KG AyappaJournal of the Indian Institute of Science 89 (2), 229-241 |
2009 |
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Force induced DNA melting. M Santosh, P. K. Maiti Journal of Physics: Condensed Matter 21 (3), 034113 |
2008 |
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Counterion distribution and ζ-potential in PAMAM dendrimer. P. K. Maiti , R MessinaMacromolecules 41 (13), 5002-5006 |
2008 |
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Strongly anisotropic orientational relaxation of water molecules in narrow carbon nanotubes and nanorings. B Mukherjee, P. K. Maiti , C Dasgupta, AK SoodAcs Nano 2 (6), 1189-1196 |
2008 |
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Binding of nucleobases with single-walled carbon nanotubes: Theory and experiment. A Das, AK Sood, P. K. Maiti , M Das, R Varadarajan, CNR RaoChemical Physics Letters 453 (4-6), 266-273 |
2008 |
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COMP 466-Elastic properties of DNA under high stretching force at various pulling rates. P. K. Maiti , K SenABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 234 |
2007 |
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Double-walled carbon nanotubes under hydrostatic pressure: Raman experiments and simulations. V Gadagkar, S Saha, DVS Muthu, P. K. Maiti , Y Lansac, A Jagota, ...Journal of Nanoscience and Nanotechnology 7 (6), 1753-1759 |
2007 |
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Irreversible pressure-induced transformation of boron nitride nanotubes. S Saha, V Gadagkar, P. K. Maiti , DVS Muthu, D Golberg, C Tang, C Zhi, ...Journal of Nanoscience and Nanotechnology 7 (6), 1810-1814 |
2007 |
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Understanding DNA based nanostructures. P. K. Maiti , TA Pascal, N Vaidehi, WA GoddardJournal of Nanoscience and Nanotechnology 7 (6), 1712-1720 |
2007 |
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Structure and dynamics of confined water inside narrow carbon nanotubes. B Mukherjee, P. K. Maiti , C Dasgupta, AK SoodJournal of nanoscience and nanotechnology 7 (6), 1796-1799 |
2007 |
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Strong correlations and Fickian water diffusion in narrow carbon nanotubes. B Mukherjee, P. K. Maiti , C Dasgupta, AK SoodThe Journal of chemical physics 126 (12) |
2007 |
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Diffusion of water molecules in narrow carbon nanotubes and nanorings. B Mukherjee, P. K. Maiti , C Dasgupta, AK Sood |
2007 |
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Multiple time scales in solvation dynamics of DNA in aqueous solution: the role of water, counterions, and cross-correlations. S Pal, P. K. Maiti , B Bagchi, JT HynesThe Journal of Physical Chemistry B 110 (51), 26396-26402 |
2006 |
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Solvent quality changes the structure of G8 PAMAM dendrimer, a disagreement with some experimental interpretations. P. K. Maiti , WA GoddardThe Journal of Physical Chemistry B 110 (51), 25628-25632 |
2006 |
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Exploring DNA groove water dynamics through hydrogen bond lifetime and orientational relaxation. S Pal, P. K. Maiti , B BagchiThe Journal of chemical physics 125 (23) |
2006 |
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Structure and dynamics of DNA− dendrimer complexation: role of counterions, water, and base pair sequence. P. K. Maiti , B BagchiNano letters 6 (11), 2478-2485 |
2006 |
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Entropy of water in the hydration layer of major and minor grooves of DNA. B Jana, S Pal, P. K. Maiti , ST Lin, JT Hynes, B BagchiThe Journal of Physical Chemistry B 110 (39), 19611-19618 |
2006 |
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Structure of poly (propyl ether imine) dendrimer from fully atomistic molecular dynamics simulation and by small angle x-ray scattering. C Jana, G Jayamurugan, R Ganapathy, P. K. Maiti , N Jayaraman, AK SoodThe Journal of chemical physics 124 (20) |
2006 |
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Atomic-level simulations of Seeman DNA nanostructures: The paranemic crossover in salt solution. P. K. Maiti , TA Pascal, N Vaidehi, J Heo, WA GoddardBiophysical journal 90 (5), 1463-1479 |
2006 |
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Collapse of double-walled carbon nanotube bundles under hydrostatic pressure. V Gadagkar, P. K. Maiti , Y Lansac, A Jagota, AK SoodPhysical Review B—Condensed Matter and Materials Physics 73 (8), 085402 |
2006 |
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Anisotropic and sub-diffusive water motion at the surface of DNA and of an anionic micelle CsPFO. S Pal, P. K. Maiti , B BagchiJournal of Physics: Condensed Matter 17 (49), S4317 |
2005 |
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Dynamics and thermodynamics of water in PAMAM dendrimers at subnanosecond time scales. ST Lin, P. K. Maiti , WA GoddardThe Journal of Physical Chemistry B 109 (18), 8663-8672 |
2005 |
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Effect of solvent and pH on the structure of PAMAM dendrimers. P. K. Maiti , T Çaǧın, ST Lin, WA GoddardMacromolecules 38 (3), 979-991 |
2005 |
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The MPSim‐Dock hierarchical docking algorithm: Application to the eight trypsin inhibitor cocrystals. AE Cho, JA Wendel, N Vaidehi, PM Kekenes–Huskey, WB Floriano, ...Journal of computational chemistry 26 (1), 48-71 |
2005 |
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Lower cost methods for improved oil recovery (IOR) via surfactant flooding. WA Goddard III, Y Tang, P Shuler, M Blanco, SS Jang, ST Lin, P Maiti, ...California Institute of Technology (US) |
2004 |
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Molecular dynamics study of a surfactant-mediated decane− water interface: effect of molecular architecture of alkyl benzene sulfonate. SS Jang, ST Lin, P. K. Maiti , M Blanco, WA Goddard, P Shuler, Y TangThe Journal of Physical Chemistry B 108 (32), 12130-12140 |
2004 |
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Structure of PAMAM dendrimers: Generations 1 through 11. P. K. Maiti , T Çaǧın, G Wang, WA GoddardMacromolecules 37 (16), 6236-6254 |
2004 |
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Molecular Dynamics Simulation. L GANTIKansas State University |
2004 |
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Coarse-grained simulation of polymer translocation through an artificial nanopore. Y Lansac, P. K. Maiti , MA GlaserPolymer 45 (9), 3099-3110 |
2004 |
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Multiscale modeling of Cu (II) binding to PAMAM dendrimers with terminal NH2, groups in aoueous solutions.. M Diallo, P Maiti, T Cagin, WA GoddardABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 227, U814-U814 |
2004 |
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Entropy-Stabilized Smectic Phase in a System of Zigzag-Shaped Molecules. P. K. Maiti , Y Lansac, MA Glaser, NA ClarkPhysical review letters 92 (2), 025501 |
2004 |
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The stability of Seeman JX DNA topoisomers of paranemic crossover (PX) molecules as a function of crossover number. P. K. Maiti , TA Pascal, N Vaidehi, WA Goddard IIINucleic acids research 32 (20), 6047-6056 |
2004 |
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Entropy driven formation of Smectic C in system of Zig-zag shaped molecules. P. K. Maiti , Y Lansac, MA Glaser, NA ClarkarXiv preprint cond-mat/0303438 |
2003 |
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Phase behavior of bent-core molecules. Y Lansac, P. K. Maiti , NA Clark, MA GlaserPhysical Review E 67 (1), 011703 |
2003 |
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Isodesmic self-assembly in lyotropic chromonic systems. P. K. Maiti , Y Lansac, MA Glaser, NA ClarkLiquid crystals 29 (5), 619-626 |
2002 |
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Self-assembly in surfactant oligomers: A coarse-grained description through molecular dynamics simulations. P. K. Maiti , Y Lansac, MA Glaser, NA Clark, Y RouaultLangmuir 18 (5), 1908-1918 |
2002 |
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Induced anticlinic ordering and nanophase segregation of bow-shaped molecules in a smectic solvent. P. K. Maiti , Y Lansac, MA Glaser, NA ClarkPhysical review letters 88 (6), 065504 |
2002 |
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Polarity, clinicity, and chirality in systems of bow-shaped molecules.. P. K. Maiti , Y Lansac, MA Glaser, NA ClarkABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 222, U328-U328 |
2001 |
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Cross-linking of micelles by gemini surfactants. P. K. Maiti , K Kremer, O Flimm, D Chowdhury, D StaufferLangmuir 16 (8), 3784-3790 |
2000 |
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Self-Assembling Amphiphilic Systems: a Monte Carlo Study. P. K. Maiti , D Chowdhury, K KremerMolecular Dynamics On Parallel Computers, 340-341 |
2000 |
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A microscopic model of gemini surfactants: Self-assemblies in water and at air–water interface. P. K. Maiti , D ChowdhuryThe Journal of chemical physics 109 (12), 5126-5133 |
1998 |
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Discrete solid-on-solid model of interface with bending rigidity: restricted and unrestricted step sizes. P. K. Maiti , D ChowdhuryInternational Journal of Modern Physics B 12 (14), 1531-1538 |
1998 |
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1. Kinetics of Phase Ordering in Microemulsions and. D Chowdury, P. K. Maiti Phase Transitions In Complex Fluids |
1998 |
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Micellar aggregates of gemini surfactants: Monte Carlo simulation of a microscopic model. P. K. Maiti , D ChowdhuryEurophysics Letters 41 (2), 183 |
1998 |
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Kinetics of Phase Ordering in Microemulsions and Micellar Solutions. D Chowdhury, P. K. Maiti Phase Transitions in Complex Fluids, 371 |
1998 |
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Numerical approach to statistical mechanics of surfactants in porous media: a coarse grained description. P. K. Maiti , D ChowdhuryInternational Journal of Modern Physics C 8 (06), 1335-1343 |
1997 |
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Out-of-plane phase segregation and in-plane clustering in a binary mixture of amphiphiles at the air-water interface. D Chowdhury, P. K. Maiti , S Sabhapandit, P TanejaPhysical Review E 56 (1), 667 |
1997 |
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Oil-water interface in the two-dimensional Larson type of model. P. K. Maiti Physics Letters A 230 (5-6), 369-372 |
1997 |
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Spin glass theory in neural network. P. K. Maiti Modelling of complex systems, 329 |
1997 |
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Discrete solid-on-solid model of interface with bending rigidity: Roughening versus crumpling. P. K. Maiti , D Chowdhury, JK BhattacharjeePhysical Review E 54 (3), 2670 |
1996 |
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Improved performance of the Hopfield and little neural network models with time delayed dynamics. P. K. Maiti , PK Dasgupta, BK ChakrabartiInternational Journal of Modern Physics B 9 (23), 3025-3037 |
1995 |
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Oil-water interface in the Widom model: is it smooth, rough or crumpled?. P. K. Maiti , D ChowdhuryJournal de Physique I 5 (6), 671-674 |
1995 |
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Reply to the Criticism by B. Bagchi Against the “Generalized Boson Realization of Fermions”. K TakadaEurophysics Letters 27 (4), 331 |
1994 |
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Spin-rotationally-symmetric path-integral formulation of a generalized N-orbital Hubbard model. P. K. Maiti , A SinghPhysical Review B 49 (9), 6078 |
1994 |
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INDIAN SPECIES OF THE GENUS ARIXYLEBORUS HOPKINS (seOL YTIDAE: COLEOPTERA). PK MAlTI, N SahaBull. zool. Surv. India 8 (1-3), 1-12 |
1987 |
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Highly Selective Molecular-Sieving Membranes by Interfacial Polymerization for H2 Purification. C Yao, M Kumar, R Lee, A RS, S Dasgupta, H Behera, P. K. Maiti , ...Available at SSRN 5018455 |
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The dramatic changes in the DNA Conductance with stretching: Structural Polymorphism at a critical extension: Supporting Information. S Bag, S Mogurampelly, WA Goddard, P. K. Maiti |
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Date of Submission: Date of Acceptance: Email: maiti@ physics. iisc. ernet. in. P. K. Maiti , TA Pascal, N Vaidehi, WAG III |
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Influence of Polymer Chain Length on Structural Properties of Carbon Molecular Sieving Membranes and Their Effects on Co2, Ch4 and N2 Adsorption: A Molecular Simulation Study. S Dasgupta, PK Roy, FM Thakkar, AD Pathak, KG Ayappa, P. K. Maiti Ganapathy and Maiti, Prabal K., Influence of Polymer Chain Length on … |
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Thermal Conductivity of Single Layer MoS2. N Vyas, V Mahalingam, D Harursampath, P Maiti |
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Supplementary Material for “Laterally structured ripple and square phases with one and two dimensional thickness modulations in a model bilayer system”. A Debnath, F Thakkar, P. K. Maiti , V Kumaran, KG Ayappa |
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Dendrimers as nanoscale blocker for the toxic protein pores. S Kanchi, T Mandal, KG Ayappa, P. K. Maiti Chemical Engineering In-house Symposium |