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<!DOCTYPE html>
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<a href="https://scholar.google.co.in/citations?user=jU4KfNwAAAAJ&hl=en"> Google Scholar Link <i class="fa fa-graduation-cap"></i></a>
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<br>
<!--Begin-->
<table border="1" cellspacing="0" cellpadding="0" class="ta1">
<colgroup>
<col width="1500"/>
<col width="60"/>
</colgroup>
<tr class="ro1">
<td class="ce1">
<p>Reconstruction of moiré lattices in twisted transition metal dichalcogenide bilayersI Maity, PK Maiti, HR Krishnamurthy, M JainPhysical Review B 103 (12), L121102</p>
</td>
<td class="ce1">
<p>2021</p>
</td>
</tr>
<tr class="ro1">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2021</p>
</td>
</tr>
<tr class="ro2">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2021</p>
</td>
</tr>
<tr class="ro3">
<td class="ce1">
<p>Dendrimers: A Novel NanomaterialD Pramanik, S Kanchi, KG Ayappa, PK MaitiComputational Materials, Chemistry, and Biochemistry: From Bold Initiatives …</p>
</td>
<td class="ce1">
<p>2021</p>
</td>
</tr>
<tr class="ro4">
<td class="ce1">
<p>Insight into the Mechanism of Carrier-Mediated Delivery of siRNA in the Cell Membrane Using MD SimulationI Basu, PK MaitiLangmuir</p>
</td>
<td class="ce1">
<p>2020</p>
</td>
</tr>
<tr class="ro5">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2020</p>
</td>
</tr>
<tr class="ro5">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2020</p>
</td>
</tr>
<tr class="ro3">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2020</p>
</td>
</tr>
<tr class="ro5">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2020</p>
</td>
</tr>
<tr class="ro1">
<td class="ce1">
<p>Using Multiscale Molecular Dynamics Simulations to Obtain Insights into Pore Forming Toxin MechanismsR Desikan, A Behera, PK Maiti, KG AyappaarXiv preprint arXiv:2010.13854</p>
</td>
<td class="ce1">
<p>2020</p>
</td>
</tr>
<tr class="ro6">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2020</p>
</td>
</tr>
<tr class="ro2">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2020</p>
</td>
</tr>
<tr class="ro2">
<td class="ce1">
<p>DNA versus RNA--which shows higher electronic conduction?A Aggarwal, S Bag, R Venkatramani, M Jain, PK MaitiarXiv preprint arXiv:2007.11309</p>
</td>
<td class="ce1">
<p>2020</p>
</td>
</tr>
<tr class="ro6">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2020</p>
</td>
</tr>
<tr class="ro5">
<td class="ce1">
<p>Anisotropic Charge Transport in Nanoscale DNA WireS Bag, T Biswas, M Jain, PK MaitiThe Journal of Physical Chemistry C 124 (31), 16763-16772</p>
</td>
<td class="ce1">
<p>2020</p>
</td>
</tr>
<tr class="ro2">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2020</p>
</td>
</tr>
<tr class="ro5">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2020</p>
</td>
</tr>
<tr class="ro1">
<td class="ce1">
<p>Ultra-high permeable phenine nanotube membranes for water desalinationS Naskar, AK Sahoo, M Moid, PK MaitiarXiv preprint arXiv:2005.12145</p>
</td>
<td class="ce1">
<p>2020</p>
</td>
</tr>
<tr class="ro7">
<td class="ce1">
<p>Modulating Interdendrimer Interactions through Surface AdsorptionM Gosika, T Mandal, PK MaitiLangmuir 36 (20), 5492-5501</p>
</td>
<td class="ce1">
<p>2020</p>
</td>
</tr>
<tr class="ro6">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2020</p>
</td>
</tr>
<tr class="ro5">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2020</p>
</td>
</tr>
<tr class="ro5">
<td class="ce1">
<p>Thermodynamics of Binding of Charged Dendrimers to Graphene: Simulation and TheoryM Gosika, S Sen, A Kundagrami, P MaitiBulletin of the American Physical Society 65</p>
</td>
<td class="ce1">
<p>2020</p>
</td>
</tr>
<tr class="ro1">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2020</p>
</td>
</tr>
<tr class="ro5">
<td class="ce1">
<p>Charge Transport Properties of BiomoleculesA Aggarwal, S BAG, R Venkatramani, M Jain, P MaitiBulletin of the American Physical Society 65</p>
</td>
<td class="ce1">
<p>2020</p>
</td>
</tr>
<tr class="ro2">
<td class="ce1">
<p>Microscopic study of proton kinetic energy anomaly for confined waterM Moid, Y Finkelstein, R Moreh, P MaitiBulletin of the American Physical Society 65</p>
</td>
<td class="ce1">
<p>2020</p>
</td>
</tr>
<tr class="ro6">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2020</p>
</td>
</tr>
<tr class="ro8">
<td class="ce1">
<p>Selection of start codon during mRNA scanning in eukaryotic translation initiationI Basu, B Gorai, T Chandran, PK Maiti, T HussainbioRxiv</p>
</td>
<td class="ce1">
<p>2020</p>
</td>
</tr>
<tr class="ro1">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2020</p>
</td>
</tr>
<tr class="ro2">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2020</p>
</td>
</tr>
<tr class="ro1">
<td class="ce1">
<p>Liquid crystal ordering of nucleic acidsS Naskar, S Saurabh, YH Jang, Y Lansac, PK MaitiSoft matter 16 (3), 634-641</p>
</td>
<td class="ce1">
<p>2020</p>
</td>
</tr>
<tr class="ro5">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2019</p>
</td>
</tr>
<tr class="ro2">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2019</p>
</td>
</tr>
<tr class="ro5">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2019</p>
</td>
</tr>
<tr class="ro1">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2019</p>
</td>
</tr>
<tr class="ro1">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2019</p>
</td>
</tr>
<tr class="ro3">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2019</p>
</td>
</tr>
<tr class="ro3">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2019</p>
</td>
</tr>
<tr class="ro5">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2019</p>
</td>
</tr>
<tr class="ro5">
<td class="ce1">
<p>Tuning the Stability of DNA Nanotubes with SaltS Naskar, M Gosika, H Joshi, PK MaitiThe Journal of Physical Chemistry C 123 (14), 9461-9470</p>
</td>
<td class="ce1">
<p>2019</p>
</td>
</tr>
<tr class="ro2">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2019</p>
</td>
</tr>
<tr class="ro1">
<td class="ce1">
<p>Tuning molecular fluctuation to boost the conductance in DNA based molecular wiresS Bag, PK MaitiPhysical Chemistry Chemical Physics 21 (42), 23514-23520</p>
</td>
<td class="ce1">
<p>2019</p>
</td>
</tr>
<tr class="ro8">
<td class="ce1">
<p>Scalar activity induced phase separation and liquid–solid transition in a Lennard-Jones systemSSN Chari, C Dasgupta, PK MaitiSoft matter 15 (36), 7275-7285</p>
</td>
<td class="ce1">
<p>2019</p>
</td>
</tr>
<tr class="ro9">
<td class="ce1">
<p>An In silico Algorithm for Identifying Amino Acids that Stabilize Oligomeric Membrane-Toxin Pores through Electrostatic InteractionsR Desikan, PK Maiti, KG AyappabioRxiv, 716969</p>
</td>
<td class="ce1">
<p>2019</p>
</td>
</tr>
<tr class="ro2">
<td class="ce1">
<p>Atomic structures of RNA nanotubes and their comparison with DNA nanotubesS Naskar, H Joshi, B Chakraborty, NC Seeman, PK MaitiNanoscale 11 (31), 14863-14878</p>
</td>
<td class="ce1">
<p>2019</p>
</td>
</tr>
<tr class="ro5">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2018</p>
</td>
</tr>
<tr class="ro1">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2018</p>
</td>
</tr>
<tr class="ro7">
<td class="ce1">
<p>Phase transition in monolayer water confined in janus nanoporeH Kumar, C Dasgupta, PK MaitiLangmuir 34 (40), 12199-12205</p>
</td>
<td class="ce1">
<p>2018</p>
</td>
</tr>
<tr class="ro2">
<td class="ce1">
<p>DNA Detection Using Programmed Bilayer NanoporesR Balasubramanian, S Pal, H Joshi, B Chakraborty, A Naik, M Varma, ...ChemRxiv</p>
</td>
<td class="ce1">
<p>2018</p>
</td>
</tr>
<tr class="ro2">
<td class="ce1">
<p>Ionic liquids make DNA rigidA Garai, D Ghoshdastidar, S Senapati, PK MaitiThe Journal of chemical physics 149 (4), 045104</p>
</td>
<td class="ce1">
<p>2018</p>
</td>
</tr>
<tr class="ro5">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2018</p>
</td>
</tr>
<tr class="ro7">
<td class="ce1">
<p>Temperature-dependent layer breathing modes in two-dimensional materialsI Maity, PK Maiti, M JainPhysical Review B 97 (16), 161406</p>
</td>
<td class="ce1">
<p>2018</p>
</td>
</tr>
<tr class="ro7">
<td class="ce1">
<p>Structure and electrical properties of DNA nanotubes embedded in lipid bilayer membranesH Joshi, PK MaitiNucleic acids research 46 (5), 2234-2242</p>
</td>
<td class="ce1">
<p>2018</p>
</td>
</tr>
<tr class="ro6">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2018</p>
</td>
</tr>
<tr class="ro7">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2018</p>
</td>
</tr>
<tr class="ro2">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2018</p>
</td>
</tr>
<tr class="ro3">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2018</p>
</td>
</tr>
<tr class="ro7">
<td class="ce1">
<p>pH and generation dependent morphologies of PAMAM dendrimers on a graphene substrateM Gosika, PK MaitiSoft matter 14 (10), 1925-1938</p>
</td>
<td class="ce1">
<p>2018</p>
</td>
</tr>
<tr class="ro2">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2017</p>
</td>
</tr>
<tr class="ro9">
<td class="ce1">
<p>Ultrahigh charge carrier mobility in nanotube encapsulated coronene stackS Bag, PK MaitiPhysical Review B 96 (24), 245401</p>
</td>
<td class="ce1">
<p>2017</p>
</td>
</tr>
<tr class="ro7">
<td class="ce1">
<p>Assessing the structure and stability of transmembrane oligomeric intermediates of an α-helical toxinR Desikan, PK Maiti, KG AyappaLangmuir 33 (42), 11496-11510</p>
</td>
<td class="ce1">
<p>2017</p>
</td>
</tr>
<tr class="ro1">
<td class="ce1">
<p>DNA-assisted dispersion of carbon nanotubes and comparison with other dispersing agentsD Pramanik, PK MaitiACS applied materials & interfaces 9 (40), 35287-35296</p>
</td>
<td class="ce1">
<p>2017</p>
</td>
</tr>
<tr class="ro5">
<td class="ce1">
<p>Confined water: structure, dynamics, and thermodynamicsS Chakraborty, H Kumar, C Dasgupta, PK MaitiAccounts of chemical research 50 (9), 2139-2146</p>
</td>
<td class="ce1">
<p>2017</p>
</td>
</tr>
<tr class="ro10">
<td class="ce1">
<p>Comparison of coarse-grained (MARTINI) and atomistic molecular dynamics simulations of </p>
</td>
<td class="Default"> </td>
</tr>
<tr class="ro10">
<td colspan="2" class="ce1">
<p>α and </p>
</td>
</tr>
<tr class="ro5">
<td class="ce1">
<p>β toxin nanopores in lipid …R Desikan, SM Patra, K Sarthak, PK Maiti, KG AyappaJournal of Chemical Sciences 129 (7), 1017-1030</p>
</td>
<td class="ce1">
<p>2017</p>
</td>
</tr>
<tr class="ro2">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2017</p>
</td>
</tr>
<tr class="ro3">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2017</p>
</td>
</tr>
<tr class="ro7">
<td class="ce1">
<p>PAMAM dendrimer: a pH-controlled nanospongePK MaitiCanadian Journal of Chemistry 95 (9), 991-998</p>
</td>
<td class="ce1">
<p>2017</p>
</td>
</tr>
<tr class="ro8">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2017</p>
</td>
</tr>
<tr class="ro5">
<td class="ce1">
<p>Atomistic and Coarse-Grained Simulation of Liquid CrystalsS Bag, S Saurabh, Y Lansac, PK MaitiSelf-Assembling Systems: Theory and Simulation, 320</p>
</td>
<td class="ce1">
<p>2016</p>
</td>
</tr>
<tr class="ro6">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2016</p>
</td>
</tr>
<tr class="ro1">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2016</p>
</td>
</tr>
<tr class="ro1">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2016</p>
</td>
</tr>
<tr class="ro1">
<td class="ce1">
<p>Charge transport in dendrimer melts using multiscale modeling simulationS Bag, M Jain, PK MaitiThe Journal of Physical Chemistry B 120 (34), 9142-9151</p>
</td>
<td class="ce1">
<p>2016</p>
</td>
</tr>
<tr class="ro8">
<td class="ce1">
<p>Nanoscale structure and elasticity of pillared DNA nanotubesH Joshi, A Kaushik, NC Seeman, PK MaitiACS nano 10 (8), 7780-7791</p>
</td>
<td class="ce1">
<p>2016</p>
</td>
</tr>
<tr class="ro5">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2016</p>
</td>
</tr>
<tr class="ro7">
<td class="ce1">
<p>Dendrimer assisted dispersion of carbon nanotubes: a molecular dynamics studyD Pramanik, PK MaitiSoft Matter 12 (41), 8512-8520</p>
</td>
<td class="ce1">
<p>2016</p>
</td>
</tr>
<tr class="ro2">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2016</p>
</td>
</tr>
<tr class="ro8">
<td class="ce1">
<p>pH controlled gating of toxic protein pores by dendrimersT Mandal, S Kanchi, KG Ayappa, PK MaitiNanoscale 8 (26), 13045-13058</p>
</td>
<td class="ce1">
<p>2016</p>
</td>
</tr>
<tr class="ro6">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2015</p>
</td>
</tr>
<tr class="ro6">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2015</p>
</td>
</tr>
<tr class="ro3">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2015</p>
</td>
</tr>
<tr class="ro5">
<td class="ce1">
<p>DNA elasticity from short DNA to nucleosomal DNAA Garai, S Saurabh, Y Lansac, PK MaitiThe Journal of Physical Chemistry B 119 (34), 11146-11156</p>
</td>
<td class="ce1">
<p>2015</p>
</td>
</tr>
<tr class="ro6">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2015</p>
</td>
</tr>
<tr class="ro8">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2015</p>
</td>
</tr>
<tr class="ro11">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2015</p>
</td>
</tr>
<tr class="ro7">
<td class="ce1">
<p>Tunable mechanical and thermal properties of ZnS/CdS core/shell nanowiresT Mandal, C Dasgupta, PK MaitiPhysical Review B 91 (10), 104107</p>
</td>
<td class="ce1">
<p>2015</p>
</td>
</tr>
<tr class="ro2">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2015</p>
</td>
</tr>
<tr class="ro8">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2015</p>
</td>
</tr>
<tr class="ro1">
<td class="ce1">
<p>The SPL7013 dendrimer destabilizes the HIV-1 gp120–CD4 complexB Nandy, S Saurabh, AK Sahoo, NM Dixit, PK MaitiNanoscale 7 (44), 18628-18641</p>
</td>
<td class="ce1">
<p>2015</p>
</td>
</tr>
<tr class="ro6">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2015</p>
</td>
</tr>
<tr class="ro2">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2015</p>
</td>
</tr>
<tr class="ro5">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2015</p>
</td>
</tr>
<tr class="ro6">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2015</p>
</td>
</tr>
<tr class="ro5">
<td class="ce1">
<p>Structure, stability and elasticity of DNA nanotubesH Joshi, A Dwaraknath, PK MaitiPhysical Chemistry Chemical Physics 17 (2), 1424-1434</p>
</td>
<td class="ce1">
<p>2015</p>
</td>
</tr>
<tr class="ro1">
<td class="ce1">
<p>Nature of the effective interaction between dendrimersT Mandal, C Dasgupta, PK MaitiThe Journal of chemical physics 141 (14), 144901</p>
</td>
<td class="ce1">
<p>2014</p>
</td>
</tr>
<tr class="ro2">
<td class="ce1">
<p>DNA assisted self-assembly of PAMAM dendrimersT Mandal, MVS Kumar, PK MaitiThe Journal of Physical Chemistry B 118 (40), 11805-11815</p>
</td>
<td class="ce1">
<p>2014</p>
</td>
</tr>
<tr class="ro2">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2014</p>
</td>
</tr>
<tr class="ro6">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2014</p>
</td>
</tr>
<tr class="ro12">
<td class="ce1">
<p>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 …</p>
</td>
<td class="ce1">
<p>2014</p>
</td>
</tr>
<tr class="ro3">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2014</p>
</td>
</tr>
<tr class="ro11">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2013</p>
</td>
</tr>
<tr class="ro2">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2013</p>
</td>
</tr>
<tr class="ro2">
<td class="ce1">
<p>Engineering gold nanoparticle interaction by PAMAM dendrimerT Mandal, C Dasgupta, PK MaitiThe Journal of Physical Chemistry C 117 (26), 13627-13636</p>
</td>
<td class="ce1">
<p>2013</p>
</td>
</tr>
<tr class="ro5">
<td class="ce1">
<p>Elasticity of DNA and the effect of dendrimer bindingS Mogurampelly, B Nandy, RR Netz, PK MaitiThe European Physical Journal E 36 (6), 1-9</p>
</td>
<td class="ce1">
<p>2013</p>
</td>
</tr>
<tr class="ro2">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2013</p>
</td>
</tr>
<tr class="ro2">
<td class="ce1">
<p>Translocation and encapsulation of siRNA inside carbon nanotubesS Mogurampelly, PK MaitiThe Journal of chemical physics 138 (3), 034901</p>
</td>
<td class="ce1">
<p>2013</p>
</td>
</tr>
<tr class="ro1">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2013</p>
</td>
</tr>
<tr class="ro1">
<td class="ce1">
<p>Simulation of influence of bilayer melting on dynamics and thermodynamics of interfacial waterA Debnath, KG Ayappa, PK MaitiPhysical review letters 110 (1), 018303</p>
</td>
<td class="ce1">
<p>2013</p>
</td>
</tr>
<tr class="ro2">
<td class="ce1">
<p>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</p>
</td>
<td class="ce1">
<p>2013</p>