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Saurabh, Suman and Sahoo, Anil Kumar and Maiti, Prabal K (2016) Energetics of dendrimer binding to HIV-1 gp120-CD4 complex and mechanismic aspects of its role as an entry-inhibitor. In: 27th IUPAP Conference on Computational Physics (CCP), DEC 02-05, 2015, Guwahati, INDIA.
Bag, Saientan and Maiti, Prabal K (2019) Tuning molecular fluctuation to boost the conductance in DNA based molecular wires. In: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 21 (42). pp. 23514-23520.
Sahoo, Anil Kumar and Bagchi, Biman and Maiti, Prabal K (2019) Understanding enhanced mechanical stability of DNA in the presence of intercalated anticancer drug: Implications for DNA associated processes. In: JOURNAL OF CHEMICAL PHYSICS, 151 (16).
Chari, S Siva Nasarayya and Dasgupta, Chandan and Maiti, Prabal K (2019) Scalar activity induced phase separation and liquid-solid transition in a Lennard-Jones system. In: SOFT MATTER, 15 (36). pp. 7275-7285.
Naskar, Supriyo and Joshi, Himanshu and Chakraborty, Banani and Seeman, Nadrian C and Maiti, Prabal K (2019) Atomic structures of RNA nanotubes and their comparison with DNA nanotubes. In: NANOSCALE, 11 (31). pp. 14863-14878.
Gorai, Biswajit and Das, Satyabrata and Maiti, Prabal K (2019) Prediction and validation of HIV-1 gp41 ecto-transmembrane domain post-fusion trimeric structure using molecular modeling. In: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS .
Gosika, Mounika and Sen, Swati and Kundagrami, Arindam and Maiti, Prabal K (2019) Understanding the Thermodynamics of the Binding of PAMAM Dendrimers to Graphene: A Combined Analytical and Simulation Study. In: LANGMUIR, 35 (28). pp. 9219-9232.
Balasubramanian, Ramkumar and Pal, Sohini and Joshi, Himanshu and Rao, Anjana and Naik, Akshay and Varma, Manoj and Chakraborty, Banani and Maiti, Prabal K (2019) DNA Translocation through Hybrid Bilayer Nanopores. In: JOURNAL OF PHYSICAL CHEMISTRY C, 123 (18). pp. 11908-11916.
Naik, Mit H and Maity, Indrajit and Maiti, Prabal K and Jain, Manish (2019) Kolmogorov-Crespi Potential For Multilayer Transition-Metal Dichalcogenides: Capturing Structural Transformations in Moire Superlattices. In: JOURNAL OF PHYSICAL CHEMISTRY C, 123 (15). pp. 9770-9778.
Naskar, Supriyo and Gosika, Mounika and Joshi, Himanshu and Maiti, Prabal K (2019) Tuning the Stability of DNA Nanotubes with Salt. In: JOURNAL OF PHYSICAL CHEMISTRY C, 123 (14). pp. 9461-9470.
Sahoo, Anil Kumar and Bagchi, Biman and Maiti, Prabal K (2019) Unfolding Dynamics of Ubiquitin from Constant Force MD Simulation: Entropy-Enthalpy Interplay Shapes the Free-Energy Landscape. In: JOURNAL OF PHYSICAL CHEMISTRY B, 123 (6). pp. 1228-1236.
Sivajothi, Sindhana Selvi Pannir and Lin, Shiang-Tai and Maiti, Prabal K (2019) Efficient Computation of Entropy and Other Thermodynamic Properties for Two-Dimensional Systems Using Two-Phase Thermodynamic Model. In: JOURNAL OF PHYSICAL CHEMISTRY B, 123 (1). pp. 180-193.
Aggarwal, Abhishek and Bag, Saientan and Maiti, Prabal K (2018) Remarkable similarity of force induced dsRNA conformational changes to stretched dsDNA and their detection using electrical measurements. In: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 20 (45). pp. 28920-28928.
Kumar, Hemant and Dasgupta, Chandan and Maiti, Prabal K (2018) Phase Transition in Monolayer Water Confined in Janus Nanopore. In: LANGMUIR, 34 (40). pp. 12199-12205.
Kanchi, Subbarao and Gosika, Mounika and Ayappa, KG and Maiti, Prabal K (2018) Dendrimer Interactions with Lipid Bilayer: Comparison of Force Field and Effect of Implicit vs Explicit Solvation. In: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 14 (7). pp. 3825-3839.
Garai, Ashok and Ghoshdastidar, Debostuti and Senapati, Sanjib and Maiti, Prabal K (2018) Ionic liquids make DNA rigid. In: JOURNAL OF CHEMICAL PHYSICS, 149 (4).
Vasu, K S and Pramanik, Debabrata and Kundu, Sudipta and Sridevi, S and Jayaraman, N and Jain, Manish and Maiti, Prabal K and Sood, A K (2018) Opening of large band gaps in metallic carbon nanotubes by mannose- functionalized dendrimers: experiments and theory. In: JOURNAL OF MATERIALS CHEMISTRY C, 6 (24). pp. 6483-6488.
Maity, Indrajit and Maiti, Prabal K and Jain, Manish (2018) Temperature-dependent layer breathing modes in two-dimensional materials. In: PHYSICAL REVIEW B, 97 (16).
Joshi, Himanshu and Maiti, Prabal K (2018) Structure and electrical properties of DNA nanotubes embedded in lipid bilayer membranes. In: NUCLEIC ACIDS RESEARCH, 46 (5). pp. 2234-2242.
Gosika, Mounika and Maiti, Prabal K (2018) pH and generation dependent morphologies of PAMAM dendrimers on a graphene substrate. In: SOFT MATTER, 14 (10). pp. 1925-1938.
Sahoo, Anil Kumar and Kanchi, Subbarao and Mandal, Taraknath and Dasgupta, Chandan and Maiti, Prabal K (2018) Translocation of Bioactive Molecules through Carbon Nanotubes Embedded in the Lipid Membrane. In: ACS APPLIED MATERIALS & INTERFACES, 10 (7). pp. 6168-6179.
Desikan, Rajat and Maiti, Prabal K and Ayappa, Ganapathy K (2017) Assessing the Structure and Stability of Transmembrane Oligomeric Intermediates of an alpha-Helical Toxin. In: LANGMUIR, 33 (42). pp. 11496-11510.
Desikan, Rajat and Patra, Swarna M and Sarthak, Kumar and Maiti, Prabal K and Ayappa, KG (2017) Comparison of coarse-grained (MARTINI) and atomistic molecular dynamics simulations of and toxin nanopores in lipid membranes. In: JOURNAL OF CHEMICAL SCIENCES, 129 (7, SI). pp. 1017-1030.
Pramanik, Debabrata and Maiti, Prabal K (2017) DNA-Assisted Dispersion of Carbon Nanotubes and Comparison with Other Dispersing Agents. In: ACS APPLIED MATERIALS & INTERFACES, 9 (40). pp. 35287-35296.
Garai, Ashok and Mogurampelly, Santosh and Bag, Saientan and Maiti, Prabal K (2017) Overstretching of B-DNA with various pulling protocols: Appearance of structural polymorphism and S-DNA. In: JOURNAL OF CHEMICAL PHYSICS, 147 (22).
Bag, Saientan and Maiti, Prabal K (2017) Ultrahigh charge carrier mobility in nanotube encapsulated coronene stack. In: PHYSICAL REVIEW B, 96 (24).
Saurabh, Suman and Lansac, Yves and Jang, Yun Hee and Glaser, Matthew A and Clark, Noel A and Maiti, Prabal K (2017) Understanding the origin of liquid crystal ordering of ultrashort double-stranded DNA. In: PHYSICAL REVIEW E, 95 (3).
Jain, Vaibhav and Maiti, Prabal K and Bharatam, Prasad V (2016) Atomic level insights into realistic molecular models of dendrimer-drug complexes through MD simulations. In: JOURNAL OF CHEMICAL PHYSICS, 145 (12).
Saurabh, Suman and Glaser, Matthew A and Lansac, Yves and Maiti, Prabal K (2016) Atomistic Simulation of Stacked Nucleosome Core Particles: Tail Bridging, the H4 Tail, and Effect of Hydrophobic Forces. In: JOURNAL OF PHYSICAL CHEMISTRY B, 120 (12). pp. 3048-3060.
Bag, Saientan and Jain, Manish and Maiti, Prabal K (2016) Charge Transport in Dendrimer Melts Using Multiscale Modeling Simulation. In: JOURNAL OF PHYSICAL CHEMISTRY B, 120 (34). pp. 9142-9151.
Pramanik, Debabrata and Maiti, Prabal K (2016) Dendrimer assisted dispersion of carbon nanotubes: a molecular dynamics study. In: SOFT MATTER, 12 (41). pp. 8512-8520.
Bag, Saientan and Mogurampelly, Santosh and Goddard, William A and Maiti, Prabal K (2016) Dramatic changes in DNA conductance with stretching: structural polymorphism at a critical extension. In: NANOSCALE, 8 (35). pp. 16044-16052.
Joshi, Himanshu and Kaushik, Atul and Seeman, Nadrian C and Maiti, Prabal K (2016) Nanoscale Structure and Elasticity of Pillared DNA Nanotubes. In: ACS NANO, 10 (8). pp. 7780-7791.
Bhatia, Dhiraj and Arumugam, Senthil and Nasilowski, Michel and Joshi, Himanshu and Wunder, Christian and Chambon, Valerie and Prakash, Ved and Grazon, Chloe and Nadal, Brice and Maiti, Prabal K and Johannes, Ludger and Dubertret, Benoit and Krishnan, Yamuna (2016) Quantum dot-loaded monofunctionalized DNA icosahedra for single-particle tracking of endocytic pathways. In: NATURE NANOTECHNOLOGY, 11 (12). pp. 1112-1119.
Mandal, Taraknath and Kanchi, Subbarao and Ayappa, KG and Maiti, Prabal K (2016) pH controlled gating of toxic protein pores by dendrimers. In: NANOSCALE, 8 (26). pp. 13045-13058.
Garai, Ashok and Saurabh, Suman and Lansac, Yves and Maiti, Prabal K (2015) DNA Elasticity from Short DNA to Nucleosomal DNA. In: JOURNAL OF PHYSICAL CHEMISTRY B, 119 (34). pp. 11146-11156.
Patra, Swarna M and Chakraborty, Sudip and Shahane, Ganesh and Prasanna, Xavier and Sengupta, Durba and Maiti, Prabal K and Chattopadhyay, Amitabha (2015) Differential dynamics of the serotonin(1A) receptor in membrane bilayers of varying cholesterol content revealed by all atom molecular dynamics simulation. In: MOLECULAR MEMBRANE BIOLOGY, 32 (4). pp. 127-137.
Kumar, Hemant and Dasgupta, Chandan and Maiti, Prabal K (2015) Driving force of water entry into hydrophobic channels of carbon nanotubes: entropy or energy? In: MOLECULAR SIMULATION, 41 (5-6). pp. 504-511.
Majhi, Amit Kumar and Kanchi, Subbarao and Venkataraman, V and Ayappa, KG and 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. In: SOFT MATTER, 11 (44). pp. 8632-8640.
Kanchi, Subbarao and Suresh, Gorle and Priyakumar, Deva U and Ayappa, KG and Maiti, Prabal K (2015) Molecular Dynamics Study of the Structure, Flexibility, and Hydrophilicity of PETIM Dendrimers: A Comparison with PAMAM Dendrimers. In: JOURNAL OF PHYSICAL CHEMISTRY B, 119 (41). pp. 12990-13001.
Raghav, Nallani and Chakraborty, Sudip and Maiti, Prabal K (2015) Molecular mechanism of water permeation in a helium impermeable graphene and graphene oxide membrane. In: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 17 (32). pp. 20557-20562.
Bag, Saientan and Maingi, Vishal and Maiti, Prabal K and Yelk, Joe and Glaser, Matthew A and Walba, David M and Clark, Noel A (2015) Molecular structure of the discotic liquid crystalline phase of hexa-peri-hexabenzocoronene/oligothiophene hybrid and their charge transport properties. In: JOURNAL OF CHEMICAL PHYSICS, 143 (14).
Samanta, Suman Kalyan and Preis, Eduard and Lehmann, Christian W and Goddard, Richard and Bag, Saientan and Maiti, Prabal K and Brunklaus, Gunther and Scherf, Ullrich (2015) One-step synthesis of a cyclic 2,17-dioxo3,3](4,4 `)biphenylophane and first preparation of a microporous polymer network from a macrocyclic precursor by cyclotrimerization. In: CHEMICAL COMMUNICATIONS, 51 (43). pp. 9046-9049.
Law-Hine, Didier and Sahoo, Anil K and Bailleux, Virginie and Zeghal, Mehdi and Prevost, Sylvain and Maiti, Prabal K and Bressanelli, Stephane and Constantin, Doru and Tresset, Guillaume (2015) Reconstruction of the Disassembly Pathway of an Icosahedral Viral Capsid and Shape Determination of Two Successive Intermediates. In: JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 6 (17). pp. 3471-3476.
Nandy, Bidisha and Saurabh, Suman and Sahoo, Anil Kumar and Dixit, Narendra M and Maiti, Prabal K (2015) The SPL7013 dendrimer destabilizes the HIV-1 gp120-CD4 complex. In: NANOSCALE, 7 (44). pp. 18628-18641.
Kumar, Hemant and Dasgupta, Chandan and Maiti, Prabal K (2015) Structure, dynamics and thermodynamics of single-file water under confinement: effects of polarizability of water molecules. In: RSC ADVANCES, 5 (3). pp. 1893-1901.
Joshi, Himanshu and Dwaraknath, Anjan and Maiti, Prabal K (2015) Structure, stability and elasticity of DNA nanotubes. In: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 17 (2). pp. 1424-1434.
Mandal, Taraknath and Dasgupta, Chandan and Maiti, Prabal K (2015) Tunable mechanical and thermal properties of ZnS/CdS core/shell nanowires. In: PHYSICAL REVIEW B, 91 (10). (In Press)
Lakshminarayanan, Abirami and Reddy, Uma B and Raghav, Nallani and Ravi, Vijay Kumar and Kumar, Anuj and Maiti, Prabal K and Sood, AK and Jayaraman, N and Das, Saumitra (2015) A galactose-functionalized dendritic siRNA-nanovector to potentiate hepatitis C inhibition in liver cells. In: NANOSCALE, 7 (40). pp. 16921-16931.
Mandal, Taraknath and Kumar, Mattaparthi Venkata Satish and Maiti, Prabal K (2014) DNA Assisted Self-Assembly of PAMAM Dendrimers. In: JOURNAL OF PHYSICAL CHEMISTRY B, 118 (40). pp. 11805-11815.
Debnath, Ananya and Thakkar, Foram M and Maiti, Prabal K and Kumaran, V and Ayappa, KG (2014) Laterally structured ripple and square phases with one and two dimensional thickness modulations in a model bilayer system. In: SOFT MATTER, 10 (38). pp. 7630-7637.
Vaidyanathan, MS and Sathyanarayana, Pradeep and Maiti, Prabal K and Visweswariah, Sandhya S and Ayappa, KG (2014) Lysis dynamics and membrane oligomerization pathways for Cytolysin A (ClyA) pore-forming toxin. In: RSC ADVANCES, 4 (10). pp. 4930-4942.
Mandal, Taraknath and Dasgupta, Chandan and Maiti, Prabal K (2014) Nature of the effective interaction between dendrimers. In: JOURNAL OF CHEMICAL PHYSICS, 141 (14).
Bhattacharya, R and Kanchi, Subbarao and Roobala, C and Lakshminarayanan, A and Seeck, Oliver H and Maiti, Prabal K and Ayappa, KG and Jayaraman, N and Basu, JK (2014) A new microscopic insight into membrane penetration and reorganization by PETIM dendrimers. In: SOFT MATTER, 10 (38). pp. 7577-7587.
Nandy, Bidisha and Bindu, Hima D and Dixit, Narendra M and 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. In: Journal of Chemical Physics, 139 (2). 024905_1-024905_9.
Shivanna, Ravichandran and Pramanik, Debabrata and Kumar, Hemant and Rao, Venkata K and George, Subi J and Maiti, Prabal K and Narayan, KS (2013) Confinement induced stochastic sensing of charged coronene and perylene aggregates in alpha-hemolysin nanochannels. In: SOFT MATTER, 9 (42). pp. 10196-10202.
Lakshminarayanan, Abirami and Ravi, Vijay Kumar and Tatineni, Ranjitha and Rajesh, YBRD and Maingi, Vishal and Vasu, KS and Madhusudhan, Nandhitha and Maiti, Prabal K and Sood, AK and Das, Saumitra and Jayaraman, N (2013) Efficient Dendrimer-DNA Complexation and Gene Delivery Vector Properties of Nitrogen-Core Poly(propyl ether imine) Dendrimer in Mammalian Cells. In: BIOCONJUGATE CHEMISTRY, 24 (9). pp. 1612-1623.
Mogurampelly, Santosh and Nandy, Bidisha and Netz, Roland R and Maiti, Prabal K (2013) Elasticity of DNA and the effect of dendrimer binding. In: EUROPEAN PHYSICAL JOURNAL E, 36 (6).
Mandal, Taraknath and Dasgupta, Chandan and Maiti, Prabal K (2013) Engineering Gold Nanoparticle Interaction by PAMAM Dendrimer. In: JOURNAL OF PHYSICAL CHEMISTRY C, 117 (26). pp. 13627-13636.
Nandy, Bidisha and Maiti, Prabal K and Bunker, Alex (2013) Force Biased Molecular Dynamics Simulation Study of Effect of Dendrimer Generation on Interaction with DNA. In: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 9 (1). pp. 722-729.
Jain, Vaibhav and Maingi, Vishal and Maiti, Prabal K and Bharatam, Prasad V (2013) Molecular dynamics simulations of PPI dendrimer-drug complexes. In: Soft Matter, 9 (28). pp. 6482-6496.
Debnath, Ananya and Ayappa, KG and Maiti, Prabal K (2013) Simulation of Influence of Bilayer Melting on Dynamics and Thermodynamics of Interfacial Water. In: PHYSICAL REVIEW LETTERS, 110 (1).
Mogurampelly, Santosh and Maiti, Prabal K (2013) Translocation and encapsulation of siRNA inside carbon nanotubes. In: JOURNAL OF CHEMICAL PHYSICS, 138 (3).
Maingi, Vishal and Jain, Vaibhav and Bharatam, Prasad V and Maiti, Prabal K (2012) Dendrimer building toolkit: Model building and characterization of various dendrimer architectures. In: Journal of Computational Chemistry, 33 (25). pp. 1997-2011.
Mogurampelly, Santosh and Panigrahi, Swati and Bhattacharyya, Dhananjay and Sood, AK and Maiti, Prabal K (2012) Unraveling siRNA unzipping kinetics with graphene. In: Journal of Chemical Physics, 137 (5). 054903-1.
Mandal, Taraknath and Maiti, Prabal K and Dasgupta, Chandan (2012) Mechanical properties of ZnS nanowires and thin films: Microscopic origin of the dependence on size and growth direction. In: PHYSICAL REVIEW B, 86 (2).
Nandy, Bidisha and Santosh, Mogurampelly and Maiti, Prabal K (2012) Interaction of nucleic acids with carbon nanotubes and dendrimers. In: JOURNAL OF BIOSCIENCES, 37 (3). pp. 457-474.
Borah, Bhaskar J and Maiti, Prabal K and Chakravarty, Charusita and Yashonath, S (2012) Transport in nanoporous zeolites: Relationships between sorbate size, entropy, and diffusivity. In: JOURNAL OF CHEMICAL PHYSICS, 136 (17). 174510-1-174510-8.
Maingi, Vishal and Kumar, Mattaparthi Venkata Satish and Maiti, Prabal K (2012) PAMAM Dendrimer-Drug Interactions: Effect of pH on the Binding and Release Pattern. In: Journal of Physical Chemistry B, 116 (14). pp. 4370-4376.
Santosh, Mogurampelly and Panigrahi, Swati and Bhattacharyya, Dhananjay and Sood, AK and Maiti, Prabal K (2012) Unzipping and binding of small interfering RNA with single walled carbon nanotube: A platform for small interfering RNA delivery. In: Journal of Chemical Physics, The, 136 (6).
Maingi, Vishal and Jain, Vaibhav and Bharatam, Prasad V and Maiti, Prabal K (2012) Dendrimer building toolkit: Model building and characterization of various dendrimer architectures. In: Journal of Computational Chemistry, 33 (25). pp. 1997-2011.
Pascal, Tod A and Goddard, William A and Maiti, Prabal K and Vaidehi, Nagarajan (2012) Role of Specific Cations and Water Entropy on the Stability of Branched DNA Motif Structures. In: JOURNAL OF PHYSICAL CHEMISTRY B, 116 (40). pp. 12159-12167.
Vasumathi, V and Pramanik, Debabrata and Sood, AK and Maiti, Prabal K (2012) Structure of a carbon nanotube-dendrimer composite. In: SOFT MATTER, 9 (4). pp. 1372-1380.
Desikan, Rajat and Ayappa, Ganapathy and Maiti, Prabal K (2018) Assessing the Structure of Transmembrane Oligomeric Intermediates of an alpha-Helical Toxin using Molecular Dynamics Simulations. In: BIOPHYSICAL JOURNAL, 114 (3, 1). 75A.
Chakraborty, Sudip and Kumar, Hemant and Dasgupta, Chandan and Maiti, Prabal K (2017) Confined Water: Structure, Dynamics, and Thermodynamics. In: ACCOUNTS OF CHEMICAL RESEARCH, 50 (9). pp. 2139-2146.
Patra, Swarna M and Desikan, Rajat and Maiti, Prabal K and Ayappa, Ganapathy (2013) Molecular dynamics study of the Cytolysin A pore forming toxin using atomistic and coarse grained simulations. In: Abstracts of Papers - American Chemical Society, 245 .
