Items where Author is "Maiti, Prabal K."

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Number of items: 161.

Article

Arandhara, Mrinal ; Kumar, Yogendra ; Dixit, Narendra M. ; Maiti, Prabal K. (2025) Clade-Specific Influences of Glycans on the Interactions between HIV-1 Envelope and Broadly Neutralizing Antibodies Journal of Chemical Information and Modeling . ISSN 1549-9596

Rajendra, Dharanish ; Maroli, Nikhil ; Dixit, Narendra M. ; Maiti, Prabal K. (2023) Molecular dynamics simulations show how antibodies may rescue HIV-1 mutants incapable of infecting host cells Journal of Biomolecular Structure and Dynamics, 43 (6). pp. 2982-2992. ISSN 0739-1102

Nag, Shubhadeep ; Ananthakrishna, G. ; Maiti, Prabal K. ; Subramanian, Yashonath (2021) High purity separation of n-pentane from neopentane using a nano-crystal of zeolite Y The Journal of Chemical Physics, 155 (1). 014702. ISSN 0021-9606

Gorai, Biswajit ; Sahoo, Anil Kumar ; Srivastava, Anand ; Dixit, Narendra M. ; Maiti, Prabal K. (2021) Concerted Interactions between Multiple gp41 Trimers and the Target Cell Lipidome May Be Required for HIV-1 Entry Journal of Chemical Information and Modeling, 61 (1). pp. 444-454. ISSN 1549-9596

Balasubramanian, Ramkumar ; Pal, Sohini ; Rao, Anjana ; Naik, Akshay ; Chakraborty, Banani ; Maiti, Prabal K. ; Varma, Manoj M. (2021) DNA Translocation through Vertically Stacked 2D Layers of Graphene and Hexagonal Boron Nitride Heterostructure Nanopore ACS Applied Bio Materials, 4 (1). pp. 451-461. ISSN 2576-6422

Basu, Subhadip ; Gorai, Biswajit ; Basu, Bikramjit ; Maiti, Prabal K. (2021) Electric Field-Mediated Fibronectin–Hydroxyapatite Interaction: A Molecular Insight Journal of Physical Chemistry B, 125 (1). pp. 3-16. ISSN 1520-6106

Aggarwal, Abhishek ; Sahoo, Anil Kumar ; Bag, Saientan ; Kaliginedi, Veerabhadrarao ; Jain, Manish ; Maiti, Prabal K. (2021) Fine-tuning the DNA conductance by intercalation of drug molecules Physical Review E: covering statistical, nonlinear, biological, and soft matter physics, 103 (3). ISSN 2470-0045

Basu, Ipsita ; Maiti, Prabal K. (2021) Insight into the Mechanism of Carrier-Mediated Delivery of siRNA in the Cell Membrane Using MD Simulation Langmuir, 37 (1). pp. 266-277. ISSN 0743-7463

Aggarwal, Abhishek ; Naskar, Supriyo ; Maroli, Nikhil ; Gorai, Biswajit ; Dixit, Narendra M. ; Maiti, Prabal K. (2021) Mechanistic insights into the effects of key mutations on SARS-CoV-2 RBD–ACE2 binding Physical Chemistry Chemical Physics, 23 (46). pp. 26451-26458. ISSN 1463-9076

Desikan, Rajat ; Maiti, Prabal K. ; Ayappa, K. Ganapathy (2021) Predicting interfacial hot-spot residues that stabilize protein-protein interfaces in oligomeric membrane-toxin pores through hydrogen bonds and salt bridges Journal of Biomolecular Structure & Dynamics, 39 (1). pp. 20-34. ISSN 0739-1102

Aggarwal, Abhishek ; Vinayak, Vinayak ; Bag, Saientan ; Bhattacharyya, Chiranjib ; Waghmare, Umesh V. ; Maiti, Prabal K. (2021) Predicting the DNA Conductance Using a Deep Feedforward Neural Network Model Journal of Chemical Information and Modeling, 61 (1). pp. 106-114. ISSN 1549-9596

Maity, Indrajit ; Maiti, Prabal K. ; Krishnamurthy, H. R. ; Jain, Manish (2021) Reconstruction of moiré lattices in twisted transition metal dichalcogenide bilayers Physical Review B: Condensed Matter and Materials Physics, 103 (12). ISSN 2469-9950

Desikan, Rajat ; Behera, Amit ; Maiti, Prabal K. ; Ayappa, K. Ganapathy (2021) Using multiscale molecular dynamics simulations to obtain insights into pore forming toxin mechanisms Methods in Enzymology, 649 . pp. 461-502. ISSN 0076-6879

Aggarwal, Abhishek ; Vinayak, Vinayak ; Bag, Saientan ; Bhattacharyya, Chiranjib ; Waghmare, Umesh V. ; Maiti, Prabal K. (2020) Predicting the DNA Conductance Using a Deep Feedforward Neural Network Model Journal of Chemical Information and Modeling, 61 (1). pp. 106-114. ISSN 1549-9596

Nag, Shubhadeep ; Ananthakrishna, G. ; Maiti, Prabal K. ; Yashonath, Subramanian (2020) Separating Hydrocarbon Mixtures by Driving the Components in Opposite Directions: High Degree of Separation Factor and Energy Efficiency Physical Review Letters, 124 (25). ISSN 0031-9007

Bag, Saientan ; Biswas, Tathagata ; Jain, Manish ; Maiti, Prabal K. (2020) Anisotropic Charge Transport in Nanoscale DNA Wire Journal of Physical Chemistry C, 124 (31). pp. 16763-16772. ISSN 1932-7447

Gosika, Mounika ; Velachi, Vasumathi ; Cordeiro, M. Natália D. S. ; Maiti, Prabal K. (2020) Covalent Functionalization of Graphene with PAMAM Dendrimer and Its Implications on Graphene’s Dispersion and Cytotoxicity ACS Applied Polymer Materials, 2 (8). pp. 3587-3600. ISSN 2637-6105

Roy, Projesh Kumar ; Kumar, Kishant ; Thakkar, Foram M. ; Pathak, Amar Deep ; Ayappa, K.Ganapathy ; Maiti, Prabal K. (2020) Investigations on 6FDA/BPDA-DAM polymer melt properties and CO2 adsorption using molecular dynamics simulations Journal of Membrane Science, 613 . p. 118377. ISSN 0376-7388

Naskar, Supriyo ; Saurabh, Suman ; Jang, Yun Hee ; Lansac, Yves ; Maiti, Prabal K. (2020) Liquid crystal ordering of nucleic acids Soft Matter, 16 (3). pp. 634-641. ISSN 1744-683X

Bag, Saientan ; Aggarwal, Abhishek ; Maiti, Prabal K. (2020) Machine Learning Prediction of Electronic Coupling between the Guanine Bases of DNA Journal of Physical Chemistry A, 124 (38). pp. 7658-7664. ISSN 1089-5639

Moid, Mohd ; Finkelstein, Yacov ; Moreh, Raymond ; Maiti, Prabal K. (2020) Microscopic Study of Proton Kinetic Energy Anomaly for Nanoconfined Water Journal of Physical Chemistry B, 124 (1). pp. 190-198. ISSN 1520-6106

Gosika, Mounika ; Mandal, Taraknath ; Maiti, Prabal K. (2020) Modulating Interdendrimer Interactions through Surface Adsorption Langmuir, 36 (20). pp. 5492-5501. ISSN 0743-7463

Aggarwal, Abhishek ; Bag, Saientan ; Venkatramani, Ravindra ; Jain, Manish ; Maiti, Prabal K. (2020) Multiscale modelling reveals higher charge transport efficiencies of DNA relative to RNA independent of mechanism Nanoscale, 12 (36). pp. 18750-18760. ISSN 2040-3364

Saurabh, Suman ; Jang, Yun Hee ; Lansac, Yves ; Maiti, Prabal K. (2020) Orientation Dependence of Inter-NCP Interaction: Insights into the Behavior of Liquid Crystal Phase and Chromatin Fiber Organization Journal of Physical Chemistry B, 124 (2). pp. 314-323. ISSN 1520-6106

Maity, Indrajit ; Naik, Mit H. ; Maiti, Prabal K. ; Krishnamurthy, H. R. ; Jain, Manish (2020) Phonons in twisted transition-metal dichalcogenide bilayers: Ultrasoft phasons and a transition from a superlubric to a pinned phase Physical Review Research, 2 (1). ISSN 2643-1564

Gorai, Biswajit ; Das, Satyabrata ; Maiti, Prabal K. (2020) Prediction and validation of HIV-1 gp41 ecto-transmembrane domain post-fusion trimeric structure using molecular modeling Journal of Biomolecular Structure & Dynamics, 38 (9). pp. 2592-2603. ISSN 0739-1102

Basu, Ipsita ; Gorai, Biswajit ; Chandran, Thyageshwar ; Maiti, Prabal K. ; Hussain, Tanweer (2020) Selection of start codon during mRNA scanning in eukaryotic translation initiation biorxiv .

Naskar, Supriyo ; Sahoo, Anil Kumar ; Moid, Mohd ; Maiti, Prabal K. (2020) Ultra-high permeable phenine nanotube membranes for water desalination arXiv preprint arXiv:2005.12145 .

Naskar, Supriyo ; Joshi, Himanshu ; Chakraborty, Banani ; Seeman, Nadrian C. ; Maiti, Prabal K. (2019) Atomic structures of RNA nanotubes and their comparison with DNA nanotubes Nanoscale, 11 (31). pp. 14863-14878. ISSN 2040-3364

Balasubramanian, Ramkumar ; Pal, Sohini ; Joshi, Himanshu ; Rao, Anjana ; Naik, Akshay ; Varma, Manoj ; Chakraborty, Banani ; Maiti, Prabal K. (2019) DNA Translocation through Hybrid Bilayer Nanopores Journal of Physical Chemistry C, 123 (18). pp. 11908-11916. ISSN 1932-7447

Pannir Sivajothi, Sindhana Selvi ; Lin, Shiang-Tai ; Maiti, Prabal K. (2019) Efficient Computation of Entropy and Other Thermodynamic Properties for Two-Dimensional Systems Using Two-Phase Thermodynamic Model Journal of Physical Chemistry B, 123 (1). pp. 180-193. ISSN 1520-6106

Desikan, Rajat ; Maiti, Prabal K. ; Ayappa, K. Ganapathy (2019) An In silico Algorithm for Identifying Amino Acids that Stabilize Oligomeric Membrane-Toxin Pores through Electrostatic Interactions bioRxiv .

Naik, Mit H. ; Maity, Indrajit ; Maiti, Prabal K. ; Jain, Manish (2019) Kolmogorov–Crespi Potential For Multilayer Transition-Metal Dichalcogenides: Capturing Structural Transformations in Moiré Superlattices Journal of Physical Chemistry C, 123 (15). pp. 9770-9778. ISSN 1932-7447

Chari, S. Siva Nasarayya ; Dasgupta, Chandan ; Maiti, Prabal K. (2019) Scalar activity induced phase separation and liquid–solid transition in a Lennard-Jones system Soft Matter, 15 (36). pp. 7275-7285. ISSN 1744-683X

Bag, Saientan ; Maiti, Prabal K. (2019) Tuning molecular fluctuation to boost the conductance in DNA based molecular wires Physical Chemistry Chemical Physics, 21 (42). pp. 23514-23520. ISSN 1463-9076

Naskar, Supriyo ; Gosika, Mounika ; Joshi, Himanshu ; Maiti, Prabal K. (2019) Tuning the Stability of DNA Nanotubes with Salt Journal of Physical Chemistry C, 123 (14). pp. 9461-9470. ISSN 1932-7447

Sahoo, Anil Kumar ; Bagchi, Biman ; Maiti, Prabal K. (2019) Understanding enhanced mechanical stability of DNA in the presence of intercalated anticancer drug: Implications for DNA associated processes Journal of Chemical Physics, 151 (16). p. 164902. ISSN 0021-9606

Gosika, Mounika ; Sen, Swati ; Kundagrami, Arindam ; Maiti, Prabal K. (2019) Understanding the Thermodynamics of the Binding of PAMAM Dendrimers to Graphene: A Combined Analytical and Simulation Study Langmuir, 35 (28). pp. 9219-9232. ISSN 0743-7463

Sahoo, Anil Kumar ; Bagchi, Biman ; Maiti, Prabal K. (2019) Unfolding Dynamics of Ubiquitin from Constant Force MD Simulation: Entropy–Enthalpy Interplay Shapes the Free-Energy Landscape Journal of Physical Chemistry B, 123 (6). pp. 1228-1236. ISSN 1520-6106

Desikan, Rajat ; Ayappa, Ganapathy ; Maiti, Prabal K. (2018) Assessing the Structure of Transmembrane Oligomeric Intermediates of an α‑Helical Toxin using Molecular Dynamics Simulations Biophysical Journal, 114 (3). 75a. ISSN 0006-3495

Balasubramanian, Ramkumar ; Pal, Sohini ; Joshi, Himanshu ; Chakraborty, Banani ; Naik, Akshay ; Varma, Manoj ; Maiti, Prabal K. (2018) DNA Detection Using Programmed Bilayer Nanopores ChemRxiv .

Kanchi, Subbarao ; Gosika, Mounika ; Ayappa, K. G. ; Maiti, Prabal K. (2018) Dendrimer Interactions with Lipid Bilayer: Comparison of Force Field and Effect of Implicit vs Explicit Solvation Journal of Chemical Theory and Computation, 14 (7). pp. 3825-3839. ISSN 1549-9618

Garai, Ashok ; Ghoshdastidar, Debostuti ; Senapati, Sanjib ; Maiti, Prabal K. (2018) Ionic liquids make DNA rigid Journal of Chemical Physics, 149 (4). 045104. ISSN 0021-9606

Vasu, K. S. ; Pramanik, Debabrata ; Kundu, Sudipta ; S., Sridevi ; Jayaraman, N. ; Jain, Manish ; Maiti, Prabal K. ; Sood, A. K. (2018) Opening of large band gaps in metallic carbon nanotubes by mannose-functionalized dendrimers: experiments and theory Journal of Materials Chemistry C, 6 (24). pp. 6483-6488. ISSN 2050-7526

Kumar, Hemant ; Dasgupta, Chandan ; Maiti, Prabal K. (2018) Phase Transition in Monolayer Water Confined in Janus Nanopore Langmuir, 34 (40). pp. 12199-12205. ISSN 0743-7463

Aggarwal, Abhishek ; Bag, Saientan ; Maiti, Prabal K. (2018) Remarkable similarity of force induced dsRNA conformational changes to stretched dsDNA and their detection using electrical measurements Physical Chemistry Chemical Physics, 20 (45). pp. 28920-28928. ISSN 1463-9076

Maity, Indrajit ; Maiti, Prabal K. ; Jain, Manish (2018) Temperature-dependent layer breathing modes in two-dimensional materials Physical Review B: Condensed Matter and Materials Physics, 97 (16). ISSN 2469-9950

Sahoo, Anil Kumar ; Kanchi, Subbarao ; Mandal, Taraknath ; Dasgupta, Chandan ; Maiti, Prabal K. (2018) Translocation of Bioactive Molecules through Carbon Nanotubes Embedded in the Lipid Membrane ACS Applied Materials & Interfaces, 10 (7). pp. 6168-6179. ISSN 1944-8244

Gosika, Mounika ; Maiti, Prabal K. (2018) pH and generation dependent morphologies of PAMAM dendrimers on a graphene substrate Soft Matter, 14 (10). pp. 1925-1938. ISSN 1744-683X

Bag, Saientan ; Maiti, Prabal K. (2017) Ultrahigh charge carrier mobility in nanotube encapsulated coronene stack Physical Review B: Condensed Matter and Materials Physics, 96 (24). Article ID 245401. ISSN 2469-9950

Saurabh, Suman ; Lansac, Yves ; Jang, Yun Hee ; Glaser, Matthew A. ; Clark, Noel A. ; Maiti, Prabal K. (2017) Understanding the origin of liquid crystal ordering of ultrashort double-stranded DNA Physical Review E: Statistical, Nonlinear, Biological, and Soft Matter Physics, 95 (3). Article ID 032702. ISSN 2470-0045

Desikan, Rajat ; Maiti, Prabal K. ; Ganapathy Ayappa, K. (2017) Assessing the structure and stability of transmembrane oligomeric intermediates of an α-helical toxin Langmuir, 33 (42). pp. 11496-11510. ISSN 0743-7463

Pramanik, Debabrata ; Maiti, Prabal K. (2017) DNA-assisted dispersion of carbon nanotubes and comparison with other dispersing agents ACS Applied Materials & Interfaces, 9 (40). pp. 35287-35296. ISSN 1944-8244

Garai, Ashok ; Mogurampelly, Santosh ; Bag, Saientan ; Maiti, Prabal K. (2017) Overstretching of B-DNA with various pulling protocols: Appearance of structural polymorphism and S-DNA Journal of Chemical Physics, 147 (22). Article ID 225102. ISSN 0021-9606

Joshi, Himanshu ; Bhatia, Dhiraj ; Krishnan, Yamuna ; Maiti, Prabal K. (2017) Probing the structure and in silico stability of cargo loaded DNA icosahedra using MD simulations Nanoscale, 9 (13). pp. 4467-4477. ISSN 2040-3364

Bhatia, Dhiraj ; Arumugam, Senthil ; Nasilowski, Michel ; Joshi, Himanshu ; Wunder, Christian ; Chambon, Valérie ; Prakash, Ved ; Grazon, Chloé ; Nadal, Brice ; Maiti, Prabal K. ; Johannes, Ludger ; Dubertret, Benoit ; Krishnan, Yamuna (2016) Quantum dot-loaded monofunctionalized DNA icosahedra for single-particle tracking of endocytic pathways Nature Nanotechnology, 11 . pp. 1112-1119. ISSN 1748-3387

Jain, Vaibhav ; Maiti, Prabal K. ; Bharatam, Prasad V. (2016) Atomic level insights into realistic molecular models of dendrimer-drug complexes through MD simulations Journal of Chemical Physics, 145 (12). Article ID 124902. ISSN 0021-9606

Jain, Vaibhav ; Maiti, Prabal K. ; Bharatam, Prasad V. (2016) Atomic level insights into realistic molecular models of dendrimer-drug complexes through MD simulations The Journal of Chemical Physics, 145 (12). p. 124902. ISSN 0021-9606

Saurabh, Suman ; Glaser, Matthew A. ; Lansac, Yves ; Maiti, Prabal K. (2016) Atomistic simulation of stacked nucleosome core particles: Tail bridging, the H4 tail, and effect of hydrophobic forces Journal of Physical Chemistry B, 120 (12). pp. 3048-3060. ISSN 1520-6106

Bag, Saientan ; Jain, Manish ; Maiti, Prabal K. (2016) Charge transport in dendrimer melts using multiscale modeling simulation Journal of Physical Chemistry B, 120 (34). pp. 9142-9151. ISSN 1520-6106

Pramanik, Debabrata ; Maiti, Prabal K. (2016) Dendrimer assisted dispersion of carbon nanotubes: A molecular dynamics study Soft Matter, 12 (41). pp. 8512-8520. ISSN 1744-683X

Bag, Saientan ; Mogurampelly, Santosh ; Goddard III, William A. ; Maiti, Prabal K. (2016) Dramatic changes in DNA conductance with stretching: Structural polymorphism at a critical extension Nanoscale, 8 (35). pp. 16044-16052. ISSN 2040-3364

Joshi, Himanshu ; Kaushik, Atul ; Seeman, Nadrian C. ; Maiti, Prabal K. (2016) Nanoscale structure and elasticity of pillared DNA nanotubes ACS Nano, 10 (8). pp. 7780-7791. ISSN 1936-0851

Mandal, Taraknath ; Kanchi, Subbarao ; Ayappa, K. G. ; Maiti, Prabal K. (2016) pH controlled gating of toxic protein pores by dendrimers Nanoscale, 8 (26). pp. 13045-13058. ISSN 2040-3364

Mandal, Taraknath ; Dasgupta, Chandan ; Maiti, Prabal K. (2015) Tunable mechanical and thermal properties of ZnS/CdS core/shell nanowires Physical Review B: Condensed Matter and Materials Physics, 91 (10). Article ID 104107. ISSN 1098-0121

Garai, Ashok ; Saurabh, Suman ; Lansac, Yves ; Maiti, Prabal K. (2015) DNA elasticity from short DNA to nucleosomal DNA Journal of Physical Chemistry B, 119 (34). pp. 11146-11156. ISSN 1520-6106

Patra, Swarna M. ; Chakraborty, Sudip ; Shahane, Ganesh ; Prasanna, Xavier ; Sengupta, Durba ; Maiti, Prabal K. ; Chattopadhyay, Amitabha (2015) Differential dynamics of the serotonin_1A receptor in membrane bilayers of varying cholesterol content revealed by all atom molecular dynamics simulation Molecular Membrane Biology, 32 (4). pp. 127-137. ISSN 0968-7688

Kumar, Hemant ; Dasgupta, Chandan ; Maiti, Prabal K. (2015) Driving force of water entry into hydrophobic channels of carbon nanotubes: Entropy or energy? Molecular Simulation, 41 (5-6). pp. 504-511. ISSN 0892-7022

Majhi, Amit Kumar ; Kanchi, Subbarao ; Venkataraman, V. ; Ayappa, K. G. ; Maiti, Prabal K. (2015) Estimation of activation energy for electroporation and pore growth rate in liquid crystalline and gel phases of lipid bilayers using molecular dynamics simulations Soft Matter, 11 (44). pp. 8632-8640. ISSN 1744-683X

Debnath, Ananya ; Thakkar, Foram M. ; Maiti, Prabal K. ; Kumarana, V. ; Ayappa, K. G. (2015) Laterally structured ripple and square phases with one and two dimensional thickness modulations in a model bilayer system Soft Matter, 10 (38). pp. 7630-7637. ISSN 1744-683X

Kanchi, Subbarao ; Suresh, Gorle ; Priyakumar, U. Deva ; Ayappa, K. G. ; Maiti, Prabal K. (2015) Molecular dynamics study of the structure, flexibility, and hydrophilicity of PETIM dendrimers: A comparison with PAMAM dendrimers Journal of Physical Chemistry B, 119 (41). pp. 12990-13001. ISSN 1520-6106

Raghav, Nallani ; Chakraborty, Sudip ; Maiti, Prabal K. (2015) Molecular mechanism of water permeation in a helium impermeable graphene and graphene oxide membrane Physical Chemistry Chemical Physics, 17 (32). pp. 20557-20562. ISSN 1463-9076

Bag, Saientan ; Maingi, Vishal ; Maiti, Prabal K. ; Yelk, Joe ; Glaser, Matthew A. ; Walba, David M. ; Clark, Noel A. (2015) Molecular structure of the discotic liquid crystalline phase of hexa-peri-hexabenzocoronene/oligothiophene hybrid and their charge transport properties Journal of Chemical Physics, 143 (14). Article ID 144505. ISSN 0021-9606

Samanta, Suman Kalyan ; Preis, Eduard ; Lehmann, Christian W. ; Goddard, Richard ; Bag, Saientan ; Maiti, Prabal K. ; Brunklaus, Gunther ; Scherf, Ullrich (2015) 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 Chemical Communications, 51 (43). pp. 9046-9049. ISSN 1359-7345

Nandy, Bidisha ; Saurabh, Suman ; Sahoo, Anil Kumar ; Dixit, Narendra M. ; Maiti, Prabal K. (2015) The SPL7013 dendrimer destabilizes the HIV-1 gp120–CD4 complex Nanoscale, 7 (44). pp. 18628-18641. ISSN 2040-3364

Kumar, Hemant ; Dasgupta, Chandan ; Maiti, Prabal K. (2015) Structure, dynamics and thermodynamics of single-file water under confinement: Effects of polarizability of water molecules RSC Advances, 5 (3). pp. 1893-1901. ISSN 2046-2069

Joshi, Himanshu ; Dwaraknath, Anjan ; Maiti, Prabal K. (2015) Structure, stability and elasticity of DNA nanotubes Physical Chemistry Chemical Physics, 17 (2). pp. 1424-1434. ISSN 1463-9076

Lakshminarayanan, Abirami ; Uma Reddy, B. ; Raghav, Nallani ; Ravi, Vijay Kumar ; Kumar, Anuj ; Maiti, Prabal K. ; Sood, A. K. ; Jayaraman, N. ; Das, Saumitra (2015) A galactose-functionalized dendritic siRNA-nanovector to potentiate hepatitis C inhibition in liver cells Nanoscale, 7 (40). pp. 16921-16931. ISSN 2040-3364

Mandal, Taraknath ; Kumar, Mattaparthi Venkata Satish ; Maiti, Prabal K. (2014) DNA assisted self-assembly of PAMAM dendrimers Journal of Physical Chemistry B, 118 (40). pp. 11805-11815. ISSN 1520-6106

Vaidyanathan, M. S. ; Sathyanarayana, Pradeep ; Maiti, Prabal K. ; Visweswariah, Sandhya S. ; Ayappa, K. G. (2014) Lysis dynamics and membrane oligomerization pathways for Cytolysin A (ClyA) pore-forming toxin RSC Advances, 4 (10). pp. 4930-4942. ISSN 2046-2069

Mandal, Taraknath ; Dasgupta, Chandan ; Maiti, Prabal K. (2014) Nature of the effective interaction between dendrimers Journal of Chemical Physics, 141 (14). Article ID 144901. ISSN 0021-9606

Bhattacharya, R. ; Kanchi, Subbarao ; Roobala, C. ; Lakshminarayanan, A. ; Seeck, Oliver H. ; Maiti, Prabal K. ; Ayappa, K. G. ; Jayaraman, N. ; Basu, J. K. (2014) A new microscopic insight into membrane penetration and reorganization by PETIM dendrimers Soft Matter, 10 (38). pp. 7577-7587. ISSN 1744-683X

Bhattacharya, R. ; Kanchi, Subbarao ; C., Roobala ; Lakshminarayanan, A. ; Seeck, Oliver H. ; Maiti, Prabal K. ; Ayappa, K. G. ; Jayaraman, N. ; Basu, J. K. (2014) A new microscopic insight into membrane penetration and reorganization by PETIM dendrimers Soft Matter, 10 (38). pp. 7577-7587. ISSN 1744-683X

Mogurampelly, Santosh ; Nandy, Bidisha ; Netz, Roland R. ; Maiti, Prabal K. (2013) Elasticity of DNA and the effect of dendrimer binding The European Physical Journal E: Soft Matter and Biological Physics, 36 (6). Article ID 68. ISSN 1292-8941

Debnath, Ananya ; Ayappa, K. G. ; Maiti, Prabal K. (2013) Simulation of influence of Bilayer melting on dynamics and thermodynamics of interfacial water Physical Review Letters, 110 (1). Article ID 018303. ISSN 0031-9007

Shivanna, Ravichandran ; Pramanik, Debabrata ; Kumar, Hemant ; Venkata Rao, K. ; George, Subi J. ; Maiti, Prabal K. ; Narayan, K. S. (2013) Confinement induced stochastic sensing of charged coronene and perylene aggregates in α-hemolysin nanochannels Soft Matter, 9 (42). pp. 10196-10202. ISSN 1744-683X

Shivanna, Ravichandran ; Pramanik, Debabrata ; Kumar, Hemant ; Rao, K. Venkata ; George, Subi J. ; Maiti, Prabal K. ; Narayan, K. S. (2013) Confinement induced stochastic sensing of charged coronene and perylene aggregates in α-hemolysin nanochannels Soft Matter, 9 (42). p. 10196. ISSN 1744-683X

Lakshminarayanan, Abirami ; Ravi, Vijay Kumar ; Tatineni, Ranjitha ; Rajesh, Y. B. R. D. ; Maingi, Vishal ; Vasu, K. S. ; Madhusudhan, Nandhitha ; Maiti, Prabal K. ; Sood, A. K. ; Das, Saumitra ; Jayaraman, N. (2013) Efficient dendrimer–DNA complexation and gene delivery vector properties of nitrogen-core poly(propyl ether imine) dendrimer in mammalian cells Bioconjugate Chemistry, 24 (9). pp. 1612-1623. ISSN 1043-1802

Mandal, Taraknath ; Dasgupta, Chandan ; Maiti, Prabal K. (2013) Engineering gold nanoparticle interaction by PAMAM dendrimer Journal of Physical Chemistry C, 117 (26). pp. 13627-13636. ISSN 1932-7447

Nandy, Bidisha ; Maiti, Prabal K. ; Bunker, Alex (2013) Force biased molecular dynamics simulation study of effect of dendrimer generation on interaction with DNA Journal of Chemical Theory and Computation, 9 (1). pp. 722-729. ISSN 1549-9618

Jain, Vaibhav ; Maingi, Vishal ; Maiti, Prabal K. ; Bharatam, Prasad V. (2013) Molecular dynamics simulations of PPI dendrimer–drug complexes Soft Matter, 9 (28). pp. 6482-6496. ISSN 1744-683X

Jain, Vaibhav ; Maingi, Vishal ; Maiti, Prabal K. ; Bharatam, Prasad V. (2013) Molecular dynamics simulations of PPI dendrimer–drug complexes Soft Matter, 9 (28). p. 6482. ISSN 1744-683X

Nandy, Bidisha ; Hima Bindu, D. ; Dixit, Narendra M. ; Maiti, Prabal K. (2013) Simulations reveal that the HIV-1 gp120-CD4 complex dissociates via complex pathways and is a potential target of the polyamidoamine (PAMAM) dendrimer Journal of Chemical Physics, 139 (2). Article ID 024905. ISSN 0021-9606

Vasumathi, V. ; Pramanik, Debabrata ; Sood, A. K. ; Maiti, Prabal K. (2013) Structure of a carbon nanotube–dendrimer composite Soft Matter, 9 (4). pp. 1372-1380. ISSN 1744-683X

Mogurampelly, Santosh ; Maiti, Prabal K. (2013) Translocation and encapsulation of siRNA inside carbon nanotubes Journal of Chemical Physics, 138 (3). Article ID 034901. ISSN 0021-9606

Maingi, Vishal ; Jain, Vaibhav ; Bharatam, Prasad V. ; Maiti, Prabal K. (2012) Dendrimer building toolkit: Model building and characterization of various dendrimer architectures Journal of Computational Chemistry, 33 (25). pp. 1997-2011. ISSN 0192-8651

Mandal, Taraknath ; Maiti, Prabal K. ; Dasgupta, Chandan (2012) Mechanical properties of ZnS nanowires and thin films: Microscopic origin of the dependence on size and growth direction Physical Review B: Condensed Matter and Materials Physics, 86 (2). Article ID 024101. ISSN 1098-0121

Nandy, Bidisha ; Santosh, Mogurampelly ; Maiti, Prabal K. (2012) Interaction of nucleic acids with carbon nanotubes and dendrimers Journal of Biosciences, 37 (3). pp. 457-474. ISSN 0250-5991

Maingi, Vishal ; Kumar, Mattaparthi Venkata Satish ; Maiti, Prabal K. (2012) PAMAM dendrimer–drug interactions: Effect of pH on the binding and release pattern Journal of Physical Chemistry B, 116 (14). pp. 4370-4376. ISSN 1520-6106

Pascal, Tod A. ; Goddard, William A. ; Maiti, Prabal K. ; Vaidehi, Nagarajan (2012) Role of specific cations and water entropy on the stability of branched DNA motif structures Journal of Physical Chemistry B, 116 (40). pp. 12159-12167. ISSN 1520-6106

Satish Kumar, Mattaparthi Venkata ; Maiti, Prabal K. (2012) Structure of DNA-functionalized dendrimer nanoparticles Soft Matter, 8 (6). pp. 1893-1900. ISSN 1744-683X

Mogurampelly, Santosh ; Panigrahi, Swati ; Bhattacharyya, Dhananjay ; Sood, A. K. ; Maiti, Prabal K. (2012) Unraveling siRNA unzipping kinetics with graphene Journal of Chemical Physics, 137 (5). Article ID 054903. ISSN 0021-9606

Santosh, Mogurampelly ; Panigrahi, Swati ; Bhattacharyya, Dhananjay ; Sood, A. K. ; Maiti, Prabal K. (2012) Unzipping and binding of small interfering RNA with single walled carbon nanotube: A platform for small interfering RNA delivery Journal of Chemical Physics, 136 (6). Article ID 065106. ISSN 0021-9606

Santosh, Mogurampelly ; Maiti, Prabal K. (2011) Structural rigidity of paranemic crossover and juxtapose DNA nanostructures Biophysical Journal, 101 (6). pp. 1393-1402. ISSN 0006-3495

Huang, Shao-Nung ; Pascal, Tod A. ; Goddard, William A. ; Maiti, Prabal K. ; Lin, Shiang-Tai (2011) Absolute entropy and energy of carbon dioxide using the two-phase thermodynamic model Journal of Chemical Theory and Computation, 7 (6). pp. 1893-1901. ISSN 1549-9618

Nandy, Bidisha ; Maiti, Prabal K. (2011) DNA compaction by a dendrimer Journal of Physical Chemistry B, 115 (2). pp. 217-230. ISSN 1520-6106

Kumar, Hemant ; Mukherjee, Biswaroop ; Lin, Shiang-Tai ; Dasgupta, Chandan ; Sood, A. K. ; Maiti, Prabal K. (2011) Thermodynamics of water entry in hydrophobic channels of carbon nanotubes Journal of Chemical Physics, 134 (12). pp. 124105_1-124105_8. ISSN 0021-9606

Thakkar, Foram M. ; Maiti, Prabal K. ; Kumaran, V. ; Ayappa, K. G. (2011) Verifying scalings for bending rigidity of bilayer membranes using mesoscale models Soft Matter, 7 (8). pp. 3963-3966. ISSN 1744-683X

Vasumathi, V. ; Maiti, Prabal K. (2010) Complexation of siRNA with dendrimer: A molecular modeling approach Macromolecules, 43 (19). pp. 8264-8274. ISSN 0024-9297

Debnath, Ananya ; Mukherjee, Biswaroop ; Ayappa, K. G. ; Maiti, Prabal K. ; Lin, Shiang-Tai (2010) Entropy and dynamics of water in hydration layers of a bilayer The Journal of Chemical Physics, 133 (17). Article ID 174704. ISSN 0021-9606

Mukherjee, Biswaroop ; Maiti, Prabal K. ; Dasgupta, Chandan ; Sood, A. K. (2010) Single-file diffusion of water inside narrow carbon nanorings ACS Nano, 4 (2). pp. 985-991. ISSN 1936-0851

Lin, Shiang-Tai ; Maiti, Prabal K. ; Goddard, William A. (2010) Two-Phase Thermodynamic Model for Efficient and Accurate Absolute Entropy of Water from Molecular Dynamics Simulations Journal of Physical Chemistry B, 114 (24). pp. 8191-8198. ISSN 1520-6106

Santosh, Mogurampelly ; Maiti, Prabal K. ; Sood, A. K. (2009) Elastic properties of boron nitride nanotubes and their comparison with carbon nanotubes Journal of Nanoscience and Nanotechnology, 9 (9). pp. 5425-5430. ISSN 1533-4880

Mukherjee, Biswaroop ; Maiti, Prabal K. ; Dasgupta, Chandan ; Sood, A. K. (2009) Reorientation of water inside carbon nanorings by large angular jumps Journal of Nanoscience and Nanotechnology, 9 (9). pp. 5303-5306. ISSN 1533-4880

Maiti, Prabal K. ; Arun Kumar, V. ; Ayappa, K. G. (2009) Computer simulation of liquid crystals Journal of the Indian Institute of Science, 89 (2). pp. 229-241. ISSN 0970-4140

Chakraborty, Saikat ; Sharma, Suruchi ; Maiti, Prabal K. ; Krishnan, Yamuna (2009) The poly dA helix: A new structural motif for high performance DNA-based molecular switches Nucleic Acids Research, 37 (9). pp. 2810-2817. ISSN 0305-1048

Varghese, Neenu ; Mogera, Umesha ; Govindaraj, Achutharao ; Das, Anindya ; Maiti, Prabal K. ; Sood, Ajay K. ; Rao, C. N. R. (2009) Binding of DNA nucleobases and nucleosides with graphene ChemPhysChem, 10 (1). pp. 206-210. ISSN 1439-4235

Samanta, Suman K. ; Bhattacharya, Santanu ; Maiti, Prabal K. (2009) Coarse-grained molecular dynamics simulation of the aggregation properties of multiheaded cationic surfactants in water Journal of Physical Chemistry B, 113 (41). pp. 13545-13550. ISSN 1089-5647

Maiti, Prabal K. ; Bagchi, Biman (2009) Diffusion of flexible, charged, nanoscopic molecules in solution: size and pH dependence for PAMAM dendrimer Journal of Chemical Physics, 131 (21). pp. 214901_1-214901_7. ISSN 0021-9606

Mukherjee, Biswaroop ; Maiti, Prabal K. ; Dasgupta, Chandan ; Sood, A. K. (2009) Jump reorientation of water molecules confined in narrow carbon nanotubes Journal of Physical Chemistry B, 113 (30). pp. 10322-10330. ISSN 1089-5647

Maiti, Prabal K. ; Li, Youyong ; Cagin, Tahir ; Goddard, William A. (2009) Structure of polyamidoamide dendrimers up to limiting generations: A mesoscale description Journal of Chemical Physics, 130 (14). Article ID 144902. ISSN 0021-9606

Debnath, Ananya ; Ayappa, K. G. ; Kumaran, V. ; Maiti, Prabal K. (2009) The influence of bilayer composition on the gel to liquid crystalline transition Journal of Physical Chemistry B, 113 (31). pp. 10660-10668. ISSN 1520-6106

Das, Anindya ; Sood, A. K. ; Maiti, Prabal K. ; Das, Mili ; Varadarajan, R. ; Rao, C. N. R. (2008) Binding of nucleobases with single-walled carbon nanotubes: theory and experiment Chemical Physics Letters, 453 (4-6). pp. 266-273. ISSN 0009-2614

Maiti, Prabal K. ; Messina, Renee (2008) Counterion distribution and ζ-potential in PAMAM dendrimer Macromolecules, 41 (13). pp. 5002-5006. ISSN 0024-9297

Mukherjee, Biswaroop ; Maiti, Prabal K. ; Dasgupta, Chandan ; Sood, Ajay K. (2008) Strongly anisotropic orientational relaxation of water molecules in narrow carbon nanotubes and nanorings ACS Nano, 2 (6). pp. 1189-1196. ISSN 1936-0851

Gadagkar, Vikram ; Saha, Surajit ; Muthu, D. V. S. ; Maiti, Prabal K. ; Lansac, Yves ; Jagota, A. ; Moravsky, Alexander ; Loutfy, R. O. ; Sood, A. K. (2007) Double-walled carbon nanotubes under hydrostatic pressure: Raman experiments and simulations Journal of Nanoscience and Nanotechnology, 7 (6). pp. 1753-1759. ISSN 1533-4880

Saha, Surajit ; Gadagkar, Vikram ; Maiti, Prabal K. ; Muthu, D. V. S. ; Golberg, D. ; Tang, C. ; Zhi, C. ; Bando, Y. ; Sood, A. K. (2007) Irreversible pressure-induced transformation of boron nitride nanotubes Journal of Nanoscience and Nanotechnology, 7 (6). pp. 1810-1814. ISSN 1533-4880

Mukherjee, Biswaroop ; Maiti, Prabal K. ; Dasgupta, Chandan ; Sood, A. K. (2007) Strong correlations and fickian water diffusion in narrow carbon nanotubes Journal of Chemical Physics, 126 (12). pp. 124704_1-124704_8. ISSN 1674-0068

Pal, Subrata ; Maiti, Prabal K. ; Bagchi, Biman ; Hynes, James T. (2006) Multiple time scales in solvation dynamics of DNA in aqueous solution: the role of water, counterions, and cross-correlations Journal of Physical Chemistry B, 110 (51). pp. 26396-26402. ISSN 1089-5647

Pal, Subrata ; Maiti, Prabal K. ; Bagchi, Biman (2006) Exploring DNA groove water dynamics through hydrogen bond lifetime and orientational relaxation Journal of Chemical Physics, 125 (23). pp. 234903_1-234903_11. ISSN 0021-9606

Maiti, Prabal K. ; Bagchi, Biman (2006) Structure and dynamics of DNA-dendrimer complexation: role of counterions, water, and base pair sequence Nano Letters, 6 (11). pp. 2478-2485. ISSN 1530-6984

Jana, Biman ; Pal, Subrata ; Maiti, Prabal K. ; Lin, Shiang-Tai ; Hynes, James T. ; Bagchi, Biman (2006) Entropy of water in the hydration layer of major and minor grooves of DNA Journal of Physical Chemistry B, 110 (39). pp. 19611-19618. ISSN 1089-5647

Maiti, Prabal K. ; Pascal, Tod A. ; Vaidehi, Nagarajan ; Heo, Jiyoung ; Goddard, William A. (2006) Atomic-level simulations of Seeman DNA nanostructures: The paranemic crossover in salt solution Biophysical Journal, 90 (5). pp. 1463-1479. ISSN 0006-3495

Gadagkar, Vikram ; Maiti, Prabal K. ; Lansac, Yves ; Jagota, A. ; Sood, A. K. (2006) Collapse of double-walled carbon nanotube bundles under hydrostatic pressure Physical Review B: Condensed Matter and Materials Physics, 73 (8). pp. 085402_1-085402_6. ISSN 1098-0121

Maiti, Prabal K. ; Goddard, William A. (2006) Solvent quality changes the structure of G8 PAMAM dendrimer, a disagreement with some experimental interpretations Journal of Physical Chemistry B, 110 (51). pp. 25628-25632. ISSN 1520-6106

Jana, Chandan ; Jayamurugan, G. ; Ganapathy, Rajesh ; Maiti, Prabal K. ; Jayaraman, N. ; Sood, A. K. (2006) Structure of poly (propyl ether imine) dendrimer from fully atomistic molecular dynamics simulation and by small angle X-ray scattering Journal of Chemical Physics, 124 (20). pp. 204719_1-204719_10. ISSN 0021-9606

Jana, Chandan ; Jayamurugan, G. ; Ganapathy, Rajesh ; Maiti, Prabal K. ; Jayaraman, N. ; Sood, A. K. (2006) Structure of poly(propyl ether imine) dendrimer from fully atomistic molecular dynamics simulation and by small angle X-ray scattering Journal of Chemical Physics, 124 (20). pp. 204719_1-204719_10. ISSN 0021-9606

Pal, Subrata ; Maiti, Prabal K. ; Bagchi, Biman (2005) Anisotropic and sub-diffusive water motion at the surface of DNA and of an anionic micelle CsPFO Journal of Physics: Condensed Matter, 17 (49). pp. S4317-S4331. ISSN 0953-8984

Cho, Art E. ; Wendel, John A. ; Vaidehi, Nagarajan ; Kekenes-Huskey, Peter M. ; Floriano, Wely B. ; Maiti, Prabal K. ; Goddard, William A. (2005) The MPSim-Dock hierarchical docking algorithm: Application to the eight trypsin inhibitor cocrystals Journal of Computational Chemistry, 26 (1). pp. 48-71. ISSN 0192-8651

Lin, Shiang-Tai ; Maiti, Prabal K. ; Goddard, William A. (2005) Dynamics and thermodynamics of water in PAMAM dendrimers at subnanosecond time scales Journal of Physical Chemistry B, 109 (18). pp. 8663-8672. ISSN 1520-6106

Maiti, Prabal K. ; Cagın, Tahir ; Lin, Shiang-Tai ; Goddard, William A. (2005) Effect of solvent and pH on the structure of PAMAM dendrimers Macromolecules, 38 (3). pp. 979-991. ISSN 0024-9297

Lansac, Yves ; Maiti, Prabal K. ; Glaser, Matthew A. (2004) Coarse-grained simulation of polymer translocation through an artificial nanopore Polymer, 45 (9). pp. 3099-3110. ISSN 0032-3861

Maiti, Prabal K. ; Lansac, Yves ; Glaser, Matthew A. ; Clark, Noel A. (2004) Entropy-stabilized smectic cphase in a system of zigzag-shaped molecules Physical Review Letters, 92 (2). Article ID 025501. ISSN 0031-9007

Maiti, Prabal K. ; Pascal, Tod A. ; Vaidehi, Nagarajan ; Goddard, William A. (2004) The stability of Seeman JX DNA topoisomers of paranemic crossover (PX) molecules as a function of crossover number Nucleic Acids Research, 32 (20). pp. 6047-6056. ISSN 1362-4962

Lansac, Yves ; Maiti, Prabal K. ; Clark, Noel A. ; Glaser, Matthew A. (2003) Phase behavior of bent-core molecules Physical Review E, 67 (1). Article ID 011703. ISSN 1063-651X

Maiti, Prabal K. ; Lansac, Yves ; Glaser, Matthew A. ; Clark, Noel A. (2002) Induced anticlinic ordering and nanophase segregation of bow-shaped molecules in a smectic solvent Physical Review Letters, 88 (6). Article ID 065504. ISSN 0031-9007

Maiti, Prabal K. ; Lansac, Yves ; Glaser, M. A. ; Clark, N. A. (2002) Isodesmic self-assembly in lyotropic chromonic systems Liquid Crystals, 29 (5). pp. 619-626. ISSN 0267-8292

Maiti, Prabal K. ; Lansac, Yves ; Glaser, Matthew A. ; Clark, Noel A. (2002) Self-assembly in surfactant oligomers: A coarse-grained description through molecular dynamics simulations Langmuir, 18 (5). pp. 1908-1918. ISSN 0743-7463

Maiti, Prabal K. ; Kremer, Kurt ; Flimm, Oliver ; Chowdhury, Debashish ; Stauffer, Dietrich (2000) Cross-linking of micelles by gemini surfactants Langmuir, 16 (8). pp. 3784-3790. ISSN 0743-7463

Maiti, Prabal K. ; Chowdhury, Debashish (1998) Discrete solid-on-solid model of interface with bending rigidity: restricted and unrestricted step sizes International Journal of Modern Physics B, 12 (14). pp. 1531-1538. ISSN 0217-9792

Maiti, Prabal K. ; Chowdhury, Debashish (1998) A microscopic model of gemini surfactants: self-assemblies in water and at air-water interface Journal of Chemical Physics, 109 (12). pp. 5126-5133. ISSN 0021-9606

Chowdhury, Debashish ; Maiti, Prabal K. ; Sabhapandit, S. ; Taneja, P. (1997) Out-of-plane phase segregation and in-plane clustering in a binary mixture of amphiphiles at the air-water interface Physical Review E, 56 (1). pp. 667-669. ISSN 1063-651X

Maiti, Prabal K. ; Chowdhury , Debashish (1997) Numerical approach to statistical mechanics of surfactants in porous media: a coarse grained description International Journal of Modern Physics C, 8 (6). pp. 1335-1343. ISSN 0129-1831

Maiti, Prabal K. ; Chowdhury, Debashish ; Bhattacharjee, Jayanta K. (1996) Discrete solid-on-solid model of interface with bending rigidity: roughening versus crumpling Physical Review E, 54 (3). pp. 2670-2676. ISSN 1063-651X

Maiti, Prabal K. ; Chowdhury, Debashish (1995) Oil-water interface in the Widom model: is it smooth, rough or crumpled? Journal de Physique I, 5 (6). pp. 671-674. ISSN 1155-4304

Maiti, Prabal K. ; Dasgupta, Prabir K. ; Chakrabarti, Bikas K. (1995) Improved performance of the Hopfield and little neural network models with time delayed dynamics International Journal of Modern Physics B, 9 (23). pp. 3025-3037. ISSN 0217-9792

Maiti, Prabal K. ; Singh, Avinash (1994) Spin-rotationally-symmetric path-integral formulation of a generalizedN-orbital Hubbard model Physical Review B, 49 (9). Article ID 6078. ISSN 0163-1829

Book Section

Pramanik, Debabrata ; Kanchi, Subbarao ; Ayappa, K. G. ; Maiti, Prabal K. (2021) Dendrimers: A Novel Nanomaterial In: Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile. Springer-Verlag, pp. 411-449.

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