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Reconstruction of moiré lattices in twisted transition metal dichalcogenide bilayersI Maity, PK Maiti, HR Krishnamurthy, M JainPhysical Review B 103 (12), L121102 |
2021 |
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Electric Field-Mediated Fibronectin–Hydroxyapatite Interaction: A Molecular InsightS Basu, B Gorai, B Basu, PK MaitiThe 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 bridgesR Desikan, PK Maiti, KG AyappaJournal of Biomolecular Structure and Dynamics 39 (1), 20-34 |
2021 |
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Dendrimers: A Novel NanomaterialD Pramanik, S Kanchi, KG Ayappa, PK MaitiComputational Materials, Chemistry, and Biochemistry: From Bold Initiatives … |
2021 |
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Insight into the Mechanism of Carrier-Mediated Delivery of siRNA in the Cell Membrane Using MD SimulationI Basu, PK MaitiLangmuir |
2020 |
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Efficient facilitated transport PETIM dendrimer-PVA-PEG/PTFE composite flat-bed membranes for selective removal of CO2S Kunalan, K Dey, PK Roy, V Velachi, PK Maiti, K Palanivelu, ...Journal of Membrane Science, 119007 |
2020 |
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Fine-tuning the DNA conductance by intercalation of drug moleculesA Aggarwal, AK Sahoo, S Bag, V Kaliginedi, M Jain, PK MaitiarXiv preprint arXiv:2012.06147 |
2020 |
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Predicting the DNA Conductance Using a Deep Feedforward Neural Network ModelA Aggarwal, V Vinayak, S Bag, C Bhattacharyya, UV Waghmare, PK MaitiJournal of Chemical Information and Modeling |
2020 |
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Investigations on 6FDA/BPDA-DAM polymer melt properties and CO2 adsorption using molecular dynamics simulationsPK Roy, K Kumar, FM Thakkar, AD Pathak, KG Ayappa, PK MaitiJournal of Membrane Science 613, 118377 |
2020 |
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Using Multiscale Molecular Dynamics Simulations to Obtain Insights into Pore Forming Toxin MechanismsR Desikan, A Behera, PK Maiti, KG AyappaarXiv preprint arXiv:2010.13854 |
2020 |
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What do we know about DNA mechanics so far?A Aggarwal, S Naskar, AK Sahoo, S Mogurampelly, A Garai, PK MaitiCurrent opinion in structural biology 64, 42-50 |
2020 |
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Machine learning prediction of electronic coupling between the guanine bases of DNAS Bag, A Aggarwal, PK MaitiThe 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, PK MaitiarXiv preprint arXiv:2007.11309 |
2020 |
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Covalent Functionalization of Graphene with PAMAM Dendrimer and Its Implications on Graphene’s Dispersion and CytotoxicityM Gosika, V Velachi, MNDS Cordeiro, PK MaitiACS Applied Polymer Materials 2 (8), 3587-3600 |
2020 |
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Anisotropic Charge Transport in Nanoscale DNA WireS Bag, T Biswas, M Jain, PK MaitiThe 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 EfficiencyS Nag, G Ananthakrishna, PK 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 modelingB Gorai, S Das, PK MaitiJournal of Biomolecular Structure and Dynamics 38 (9), 2592-2603 |
2020 |
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Ultra-high permeable phenine nanotube membranes for water desalinationS Naskar, AK Sahoo, M Moid, PK MaitiarXiv preprint arXiv:2005.12145 |
2020 |
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Modulating Interdendrimer Interactions through Surface AdsorptionM Gosika, T Mandal, PK MaitiLangmuir 36 (20), 5492-5501 |
2020 |
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DNA Translocation through Vertically Stacked 2D Layers of Graphene and Hexagonal Boron Nitride Heterostructure NanoporeR Balasubramanian, S Pal, A Rao, A Naik, B Chakraborty, PK Maiti, ...ACS Applied Bio Materials |
2020 |
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Phonons in twisted transition-metal dichalcogenide bilayers: Ultrasoft phasons and a transition from a superlubric to a pinned phaseI Maity, MH Naik, PK Maiti, HR Krishnamurthy, M JainPhysical Review Research 2 (1), 013335 |
2020 |
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Thermodynamics of Binding of Charged Dendrimers to Graphene: Simulation and TheoryM 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 systemC Dasgupta, S Chari, P MaitiBulletin of the American Physical Society 65 |
2020 |
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Charge Transport Properties of BiomoleculesA 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 waterM 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 studyS Naskar, H Joshi, M Gosika, B Chakraborty, N Seeman, P MaitiBulletin of the American Physical Society 65 |
2020 |
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Selection of start codon during mRNA scanning in eukaryotic translation initiationI Basu, B Gorai, T Chandran, PK Maiti, T HussainbioRxiv |
2020 |
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Multiscale modelling reveals higher charge transport efficiencies of DNA relative to RNA independent of mechanismA Aggarwal, S Bag, R Venkatramani, M Jain, PK MaitiNanoscale 12 (36), 18750-18760 |
2020 |
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Concerted interactions between multiple gp41 trimers and the target cell lipidome may be required for HIV-1 entryB Gorai, AK Sahoo, A Srivastava, NM Dixit, PK MaitiJournal of Chemical Information and Modeling |
2020 |
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Liquid crystal ordering of nucleic acidsS Naskar, S Saurabh, YH Jang, Y Lansac, PK MaitiSoft 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 OrganizationS Saurabh, YH Jang, Y Lansac, PK MaitiThe 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 bilayersUK Basak, C Roobala, JK Basu, PK MaitiJournal of Physics: Condensed Matter 32 (10), 104003 |
2019 |
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Microscopic Study of Proton Kinetic Energy Anomaly for Nanoconfined WaterM Moid, Y Finkelstein, R Moreh, PK MaitiThe 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 processesAK Sahoo, B Bagchi, PK MaitiThe Journal of chemical physics 151 (16), 164902 |
2019 |
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Understanding the thermodynamics of the binding of pamam dendrimers to graphene: A combined analytical and simulation studyM Gosika, S Sen, A Kundagrami, PK MaitiLangmuir 35 (28), 9219-9232 |
2019 |
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Low frequency modes in twisted flatland: Ultra-soft modes, superlubricity to strong pinningI Maity, MH Naik, PK Maiti, S Ramaswamy, HR Krishnamurthy, M JainarXiv preprint arXiv:1905.11538 |
2019 |
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DNA translocation through hybrid bilayer nanoporesR 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 superlatticesMH Naik, I Maity, PK Maiti, M JainThe Journal of Physical Chemistry C 123 (15), 9770-9778 |
2019 |
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Tuning the Stability of DNA Nanotubes with SaltS Naskar, M Gosika, H Joshi, PK MaitiThe 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 LandscapeAK Sahoo, B Bagchi, PK MaitiThe 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 wiresS Bag, PK MaitiPhysical 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 systemSSN Chari, C Dasgupta, PK MaitiSoft matter 15 (36), 7275-7285 |
2019 |
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An In silico Algorithm for Identifying Amino Acids that Stabilize Oligomeric Membrane-Toxin Pores through Electrostatic InteractionsR Desikan, PK Maiti, KG AyappabioRxiv, 716969 |
2019 |
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Atomic structures of RNA nanotubes and their comparison with DNA nanotubesS Naskar, H Joshi, B Chakraborty, NC Seeman, PK MaitiNanoscale 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 modelSS Pannir Sivajothi, ST Lin, PK MaitiThe 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 ProteinsR Desikan, A Behera, PK Maiti, KG Ayappa2018 AIChE Annual Meeting |
2018 |
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Phase transition in monolayer water confined in janus nanoporeH Kumar, C Dasgupta, PK MaitiLangmuir 34 (40), 12199-12205 |
2018 |
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DNA Detection Using Programmed Bilayer NanoporesR Balasubramanian, S Pal, H Joshi, B Chakraborty, A Naik, M Varma, ...ChemRxiv |
2018 |
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Ionic liquids make DNA rigidA Garai, D Ghoshdastidar, S Senapati, PK MaitiThe Journal of chemical physics 149 (4), 045104 |
2018 |
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Dendrimer interactions with lipid bilayer: Comparison of force field and effect of implicit vs explicit solvationS Kanchi, M Gosika, KG Ayappa, PK MaitiJournal of chemical theory and computation 14 (7), 3825-3839 |
2018 |
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Temperature-dependent layer breathing modes in two-dimensional materialsI Maity, PK Maiti, M JainPhysical Review B 97 (16), 161406 |
2018 |
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Structure and electrical properties of DNA nanotubes embedded in lipid bilayer membranesH Joshi, PK MaitiNucleic acids research 46 (5), 2234-2242 |
2018 |
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Translocation of bioactive molecules through carbon nanotubes embedded in the lipid membraneAK Sahoo, S Kanchi, T Mandal, C Dasgupta, PK MaitiACS 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 SimulationsR Desikan, G Ayappa, PK MaitiBiophysical Journal 114 (3), 75a |
2018 |
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Remarkable similarity of force induced dsRNA conformational changes to stretched dsDNA and their detection using electrical measurementsA Aggarwal, S Bag, PK MaitiPhysical 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 theoryKS Vasu, D Pramanik, S Kundu, S Sridevi, N Jayaraman, M Jain, PK 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 substrateM Gosika, PK MaitiSoft matter 14 (10), 1925-1938 |
2018 |
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Overstretching of B-DNA with various pulling protocols: Appearance of structural polymorphism and S-DNAA Garai, S Mogurampelly, S Bag, PK MaitiThe Journal of chemical physics 147 (22), 225102 |
2017 |
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Ultrahigh charge carrier mobility in nanotube encapsulated coronene stackS Bag, PK MaitiPhysical Review B 96 (24), 245401 |
2017 |
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Assessing the structure and stability of transmembrane oligomeric intermediates of an α-helical toxinR Desikan, PK Maiti, KG AyappaLangmuir 33 (42), 11496-11510 |
2017 |
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DNA-assisted dispersion of carbon nanotubes and comparison with other dispersing agentsD Pramanik, PK MaitiACS applied materials & interfaces 9 (40), 35287-35296 |
2017 |
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Confined water: structure, dynamics, and thermodynamicsS Chakraborty, H Kumar, C Dasgupta, PK MaitiAccounts of chemical research 50 (9), 2139-2146 |
2017 |
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Comparison of coarse-grained (MARTINI) and atomistic molecular dynamics simulations of |
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α and |
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β toxin nanopores in lipid …R Desikan, SM Patra, K Sarthak, PK 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 DNAS Saurabh, Y Lansac, YH Jang, MA Glaser, NA Clark, PK MaitiPhysical Review E 95 (3), 032702 |
2017 |
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Comparison of coarse-grained (MARTINI) and atomistic molecular dynamics simulations of Formula Not Shown and Formula Not Shown toxin nanopores in lipid membranesR Desikan, SM Patra, K Sarthak, PK Maiti, KG AyappaJOURNAL OF CHEMICAL SCIENCES-BANGALORE- 129 (7), 1017-1030 |
2017 |
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PAMAM dendrimer: a pH-controlled nanospongePK MaitiCanadian 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 simulationsH Joshi, D Bhatia, Y Krishnan, PK MaitiNanoscale 9 (13), 4467-4477 |
2017 |
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Atomistic and Coarse-Grained Simulation of Liquid CrystalsS Bag, S Saurabh, Y Lansac, PK MaitiSelf-Assembling Systems: Theory and Simulation, 320 |
2016 |
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Quantum dot-loaded monofunctionalized DNA icosahedra for single-particle tracking of endocytic pathwaysD 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-inhibitorS Saurabh, AK Sahoo, PK MaitiJournal 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 simulationsV Jain, PK Maiti, PV BharatamThe Journal of chemical physics 145 (12), 124902 |
2016 |
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Charge transport in dendrimer melts using multiscale modeling simulationS Bag, M Jain, PK MaitiThe Journal of Physical Chemistry B 120 (34), 9142-9151 |
2016 |
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Nanoscale structure and elasticity of pillared DNA nanotubesH Joshi, A Kaushik, NC Seeman, PK MaitiACS 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 forcesS Saurabh, MA Glaser, Y Lansac, PK MaitiThe Journal of Physical Chemistry B 120 (12), 3048-3060 |
2016 |
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Dendrimer assisted dispersion of carbon nanotubes: a molecular dynamics studyD Pramanik, PK MaitiSoft Matter 12 (41), 8512-8520 |
2016 |
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Dramatic changes in DNA conductance with stretching: structural polymorphism at a critical extensionS Bag, S Mogurampelly, WA Goddard III, PK MaitiNanoscale 8 (35), 16044-16052 |
2016 |
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pH controlled gating of toxic protein pores by dendrimersT Mandal, S Kanchi, KG Ayappa, PK MaitiNanoscale 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 dendrimersS Kanchi, G Suresh, UD Priyakumar, KG Ayappa, PK MaitiThe 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 propertiesS Bag, V Maingi, PK Maiti, J Yelk, MA Glaser, DM Walba, NA ClarkThe Journal of chemical physics 143 (14), 144505 |
2015 |
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Reconstruction of the disassembly pathway of an icosahedral viral capsid and shape determination of two successive intermediatesD Law-Hine, AK Sahoo, V Bailleux, M Zeghal, S Prevost, PK Maiti, ...The journal of physical chemistry letters 6 (17), 3471-3476 |
2015 |
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DNA elasticity from short DNA to nucleosomal DNAA Garai, S Saurabh, Y Lansac, PK MaitiThe 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 simulationSM Patra, S Chakraborty, G Shahane, X Prasanna, D Sengupta, PK 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, PK MaitiMolecular Simulation 41 (5-6), 504-511 |
2015 |
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Self assembly and kinetic pathways of pore forming toxins in supported lipid bilayersR 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 nanowiresT Mandal, C Dasgupta, PK MaitiPhysical 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 SimulationsAK 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 MoleculesH Kumar, C Dasgupta, PK MaitiRSC Advances 5 (3), 1893-1901 |
2015 |
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The SPL7013 dendrimer destabilizes the HIV-1 gp120–CD4 complexB Nandy, S Saurabh, AK Sahoo, NM Dixit, PK MaitiNanoscale 7 (44), 18628-18641 |
2015 |
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A galactose-functionalized dendritic siRNA-nanovector to potentiate hepatitis C inhibition in liver cellsA Lakshminarayanan, BU Reddy, N Raghav, VK Ravi, A Kumar, PK 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 simulationsAK Majhi, S Kanchi, V Venkataraman, KG Ayappa, PK MaitiSoft matter 11 (44), 8632-8640 |
2015 |
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Molecular mechanism of water permeation in a helium impermeable graphene and graphene oxide membraneN Raghav, S Chakraborty, PK MaitiPhysical 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 cyclotrimerizationSK Samanta, E Preis, CW Lehmann, R Goddard, S Bag, PK Maiti, ...Chemical Communications 51 (43), 9046-9049 |
2015 |
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Structure, stability and elasticity of DNA nanotubesH Joshi, A Dwaraknath, PK MaitiPhysical Chemistry Chemical Physics 17 (2), 1424-1434 |
2015 |
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Nature of the effective interaction between dendrimersT Mandal, C Dasgupta, PK MaitiThe Journal of chemical physics 141 (14), 144901 |
2014 |
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DNA assisted self-assembly of PAMAM dendrimersT Mandal, MVS Kumar, PK MaitiThe Journal of Physical Chemistry B 118 (40), 11805-11815 |
2014 |
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Laterally structured ripple and square phases with one and two dimensional thickness modulations in a model bilayer systemA Debnath, FM Thakkar, PK 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 dendrimersR 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 ResearchH Kumar, D Pramanik, S Mogurampelly, V Vasumathi, B Nandy, PK MaitiHandbook 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 toxinMS Vaidyanathan, P Sathyanarayana, PK 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 cellsA 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) dendrimerB Nandy, DH Bindu, NM Dixit, PK MaitiThe Journal of chemical physics 139 (2), 024905 |
2013 |
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Engineering gold nanoparticle interaction by PAMAM dendrimerT Mandal, C Dasgupta, PK MaitiThe Journal of Physical Chemistry C 117 (26), 13627-13636 |
2013 |
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Elasticity of DNA and the effect of dendrimer bindingS Mogurampelly, B Nandy, RR Netz, PK MaitiThe European Physical Journal E 36 (6), 1-9 |
2013 |
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Molecular dynamics study of the Cytolysin A pore forming toxin using atomistic and coarse grained simulationsSM Patra, R Desikan, PK Maiti, G AyappaAbstracts of Papers-American Chemical Society 245 |
2013 |
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Translocation and encapsulation of siRNA inside carbon nanotubesS Mogurampelly, PK MaitiThe Journal of chemical physics 138 (3), 034901 |
2013 |
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Force biased molecular dynamics simulation study of effect of dendrimer generation on interaction with DNAB Nandy, PK 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 of interfacial waterA Debnath, KG Ayappa, PK MaitiPhysical review letters 110 (1), 018303 |
2013 |
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Confinement induced stochastic sensing of charged coronene and perylene aggregates in α-hemolysin nanochannelsR Shivanna, D Pramanik, H Kumar, KV Rao, SJ George, PK Maiti, ...Soft Matter 9 (42), 10196-10202 |
2013 |
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Molecular dynamics simulations of PPI dendrimer–drug complexesV Jain, V Maingi, PK Maiti, PV BharatamSoft Matter 9 (28), 6482-6496 |
2013 |
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Structure of a carbon nanotube–dendrimer compositeV Vasumathi, D Pramanik, AK Sood, PK MaitiSoft Matter 9 (4), 1372-1380 |
2013 |
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Role of specific cations and water entropy on the stability of branched DNA motif structuresTA Pascal, WA Goddard III, PK 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 architecturesV Maingi, V Jain, PV Bharatam, PK MaitiJournal of computational chemistry 33 (25), 1997-2011 |
2012 |
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Unraveling siRNA unzipping kinetics with grapheneS Mogurampelly, S Panigrahi, D Bhattacharyya, AK Sood, PK MaitiThe Journal of chemical physics 137 (5), 054903 |
2012 |
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Mechanical properties of ZnS nanowires and thin films: Microscopic origin of the dependence on size and growth directionT Mandal, PK Maiti, C DasguptaPhysical Review B 86 (2), 024101 |
2012 |
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Interaction of nucleic acids with carbon nanotubes and dendrimersB Nandy, M Santosh, PK MaitiJournal of biosciences 37 (3), 457-474 |
2012 |
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Transport in nanoporous zeolites: Relationships between sorbate size, entropy, and diffusivityBJ Borah, PK Maiti, C Chakravarty, S YashonathThe Journal of chemical physics 136 (17), 174510 |
2012 |
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PAMAM dendrimer–drug interactions: effect of pH on the binding and release patternV Maingi, MVS Kumar, PK MaitiThe 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 membraneS Patra, PK 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 deliveryM Santosh, S Panigrahi, D Bhattacharyya, AK Sood, PK MaitiThe Journal of chemical physics 136 (6), 02B611 |
2012 |
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Structure of DNA-functionalized dendrimer nanoparticlesMVS Kumar, PK MaitiSoft Matter 8 (6), 1893-1900 |
2012 |
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Structural rigidity of paranemic crossover and juxtapose DNA nanostructuresM Santosh, PK MaitiBiophysical Journal 101 (6), 1393-1402 |
2011 |
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Dynamics SimulationH Kumar, PK MaitiComputational statistical physics: Lecture Notes, Guwahati SERC School 10, 161 |
2011 |
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Absolute entropy and energy of carbon dioxide using the two-phase thermodynamic modelSN Huang, TA Pascal, WA Goddard III, PK 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 nanotubesH Kumar, B Mukherjee, ST Lin, C Dasgupta, AK Sood, PK MaitiThe Journal of chemical physics 134 (12), 124105 |
2011 |
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Interaction of single-walled carbon nanotubes with poly (propyl ether imine) dendrimersG Jayamurugan, KS Vasu, Y Rajesh, S Kumar, V Vasumathi, PK Maiti, ...The Journal of chemical physics 134 (10), 104507 |
2011 |
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DNA compaction by a dendrimerB Nandy, PK MaitiThe Journal of Physical Chemistry B 115 (2), 217-230 |
2011 |
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Introduction to molecular dynamics simulationH Kumar, PK MaitiComputational Statistical Physics: Lecture Notes, Guwahati SERC School, 298 |
2011 |
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Verifying scalings for bending rigidity of bilayer membranes using mesoscale modelsFM Thakkar, PK Maiti, V Kumaran, KG AyappaSoft Matter 7 (8), 3963-3966 |
2011 |
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Biopolymers in nanopores: challenges and opportunitiesH Kumar, Y Lansac, MA Glaser, PK MaitiSoft Matter 7 (13), 5898-5907 |
2011 |
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Entropy and dynamics of water in hydration layers of a bilayerA Debnath, B Mukherjee, KG Ayappa, PK Maiti, ST LinThe Journal of chemical physics 133 (17), 174704 |
2010 |
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Complexation of siRNA with dendrimer: A molecular modeling approachV Vasumathi, PK MaitiMacromolecules 43 (19), 8264-8274 |
2010 |
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Two-phase thermodynamic model for efficient and accurate absolute entropy of water from molecular dynamics simulationsST Lin, PK 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 nanoringsB Mukherjee, PK 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 |
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dependence for PAMAM dendrimerPK Maiti, B BagchiThe Journal of chemical physics 131 (21), 214901 |
2009 |
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Coarse-grained molecular dynamics simulation of the aggregation properties of multiheaded cationic surfactants in waterSK Samanta, S Bhattacharya, PK MaitiThe Journal of Physical Chemistry B 113 (41), 13545-13550 |
2009 |
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Reorientation of Water Inside Carbon Nanorings by Large Angular JumpsB Mukherjee, PK 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 nanotubesM Santosh, PK 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 transitionA Debnath, KG Ayappa, V Kumaran, PK MaitiThe Journal of Physical Chemistry B 113 (31), 10660-10668 |
2009 |
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Jump reorientation of water molecules confined in narrow carbon nanotubesB Mukherjee, PK 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 switchesS Chakraborty, S Sharma, PK Maiti, Y KrishnanNucleic acids research 37 (9), 2810-2817 |
2009 |
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Structure of polyamidoamide dendrimers up to limiting generations: A mesoscale descriptionPK Maiti, Y Li, T Cagin, WA Goddard IIIThe Journal of chemical physics 130 (14), 144902 |
2009 |
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Binding of DNA nucleobases and nucleosides with grapheneN Varghese, U Mogera, A Govindaraj, A Das, PK Maiti, AK Sood, ...ChemPhysChem 10 (1), 206-210 |
2009 |
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Computer simulation of liquid crystalsPK Maiti, VA Kumar, KG AyappaJournal of the Indian Institute of Science 89 (2), 229-241 |
2009 |
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Force induced DNA meltingM Santosh, PK MaitiJournal of Physics: Condensed Matter 21 (3), 034113 |
2008 |
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Counterion distribution and ζ-potential in PAMAM dendrimerPK Maiti, R MessinaMacromolecules 41 (13), 5002-5006 |
2008 |
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Strongly anisotropic orientational relaxation of water molecules in narrow carbon nanotubes and nanoringsB Mukherjee, PK 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 experimentA Das, AK Sood, PK 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 ratesPK 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 simulationsV Gadagkar, S Saha, DVS Muthu, PK 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 nanotubesS Saha, V Gadagkar, PK 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 nanostructuresPK 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 nanotubesB Mukherjee, PK 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 nanotubesB Mukherjee, PK Maiti, C Dasgupta, AK SoodThe Journal of chemical physics 126 (12), 124704 |
2007 |
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Diffusion of water molecules in narrow carbon nanotubes and nanoringsB Mukherjee, PK 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-correlationsS Pal, PK 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 interpretationsPK 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 relaxationS Pal, PK Maiti, B BagchiThe Journal of chemical physics 125 (23), 234903 |
2006 |
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Structure and dynamics of DNA− dendrimer complexation: role of counterions, water, and base pair sequencePK 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 DNAB Jana, S Pal, PK 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 scatteringC Jana, G Jayamurugan, R Ganapathy, PK Maiti, N Jayaraman, AK SoodThe Journal of chemical physics 124 (20), 204719 |
2006 |
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Atomic-level simulations of seeman DNA nanostructures: the paranemic crossover in salt solutionPK Maiti, TA Pascal, N Vaidehi, J Heo, WA Goddard IIIBiophysical journal 90 (5), 1463-1479 |
2006 |
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Collapse of double-walled carbon nanotube bundles under hydrostatic pressureV Gadagkar, PK Maiti, Y Lansac, A Jagota, AK SoodPhysical Review B 73 (8), 085402 |
2006 |
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Anisotropic and sub-diffusive water motion at the surface of DNA and of an anionic micelle CsPFOS Pal, PK 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 scalesST Lin, PK 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 dendrimersPK 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 cocrystalsAE 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 floodingWA 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 sulfonateSS Jang, ST Lin, PK 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 11PK Maiti, T Çaǧın, G Wang, WA GoddardMacromolecules 37 (16), 6236-6254 |
2004 |
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Coarse-grained simulation of polymer translocation through an artificial nanoporeY Lansac, PK 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 C phase in a system of zigzag-shaped moleculesPK 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 numberPK 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 moleculesPK Maiti, Y Lansac, MA Glaser, NA ClarkarXiv preprint cond-mat/0303438 |
2003 |
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Phase behavior of bent-core moleculesY Lansac, PK Maiti, NA Clark, MA GlaserPhysical Review E 67 (1), 011703 |
2003 |
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Isodesmic self-assembly in lyotropic chromonic systemsPK 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 simulationsPK 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 solventPK 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.PK 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 surfactantsPK Maiti, K Kremer, O Flimm, D Chowdhury, D StaufferLangmuir 16 (8), 3784-3790 |
2000 |
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Molecular Dynamics on Parallel ComputersP Grassberger, R Esser, J Grotendorst, M LewerenzWorld Scientific |
2000 |
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Self-Assembling Amphiphilic Systems: a Monte Carlo StudyPK 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 interfacePK 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 sizesPK Maiti, D ChowdhuryInternational Journal of Modern Physics B 12 (14), 1531-1538 |
1998 |
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1. Kinetics of Phase Ordering in Microemulsions andD Chowdury, PK MaitiPhase Transitions In Complex Fluids |
1998 |
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Micellar aggregates of gemini surfactants: Monte Carlo simulation of a microscopic modelPK Maiti, D ChowdhuryEPL (Europhysics Letters) 41 (2), 183 |
1998 |
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Kinetics of Phase Ordering in Microemulsions and Micellar SolutionsD Chowdhury, PK MaitiPhase Transitions in Complex Fluids, 371 |
1998 |
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Numerical Approach to Statistical Mechanics of Surfactants in Porous Media: A Coarse Grained DescriptionPK 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 interfaceD Chowdhury, PK 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 modelPK MaitiPhysics Letters A 230 (5-6), 369-372 |
1997 |
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Spin glass theory in neural networkPK MaitiModelling of complex systems, 329 |
1997 |
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Discrete solid-on-solid model of interface with bending rigidity: Roughening versus crumplingPK 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 dynamicsPK 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?PK Maiti, D ChowdhuryJournal de Physique I 5 (6), 671-674 |
1995 |
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Spin-rotationally-symmetric path-integral formulation of a generalized N-orbital Hubbard modelPK Maiti, A SinghPhysical Review B 49 (9), 6078 |
1994 |
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Indian species of the genus Arixyleborus Hopkins (Scolytidae: Coleoptera)PK Maiti, N SahaBull. 200l. Surv. India 8 (1-3), 1-12 |
1987 |
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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, PK Maiti, V Kumaran, KG Ayappa |
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Dendrimers as nanoscale blocker for the toxic protein poresS Kanchi, T Mandal, KG Ayappa, PK MaitiChemical Engineering In-house Symposium |
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