Sudip Roy

发表

Self-assembly of phospholipids on flat supports.

A. Mhashal, Sudip Roy, 2015, Physical chemistry chemical physics : PCCP.

Free Energy of Bare and Capped Gold Nanoparticles Permeating through a Lipid Bilayer.

A. Mhashal, Sudip Roy, 2016, Chemphyschem : a European journal of chemical physics and physical chemistry.

Compact polar moieties induce lipid-water systems to form discontinuous reverse micellar phase.

Manoj Kumar, G. Kumaraswamy, A. Ambade, 2015, Soft matter.

Algorithm for Designing Nanoscale Supramolecular Therapeutics with Increased Anticancer Efficacy.

Shiladitya Sengupta, A. Goldman, D. Dinulescu, 2016, ACS nano.

Molecular dynamics simulation of phosphoric acid doped monomer of polybenzimidazole: a potential component polymer electrolyte membrane of fuel cell.

A. Venkatnathan, S. Pahari, Sudip Roy, 2012, The journal of physical chemistry. B.

A Review of Clathrate Hydrate Nucleation, Growth and Decomposition Studied using Molecular Dynamics Simulation

R. Kumar, Sudip Roy, Subhadip Das, 2021, Journal of Molecular Liquids.

Coarse-Grained Molecular Dynamics Force-Field for Polyacrylamide in Infinite Dilution Derived from Iterative Boltzmann Inversion and MARTINI Force-Field.

Nitish Nair, P. Banerjee, Sudip Roy, 2017, The journal of physical chemistry. B.

Self-Exfoliated Guanidinium-Based Ionic Covalent Organic Nanosheets (iCONs).

R. Banerjee, B. Biswal, U. Kharul, 2016, Journal of the American Chemical Society.

Drug-Triggered Self-Assembly of Linear Polymer into Nanoparticles for Simultaneous Delivery of Hydrophobic and Hydrophilic Drugs in Breast Cancer Cells

M. Lahiri, Sudipta Basu, Sandeep Palvai, 2017, ACS omega.

Vesicle structures from bolaamphiphilic biosurfactants: experimental and molecular dynamics simulation studies on the effect of unsaturation on sophorolipid self-assemblies.

B. Prasad, Nikunjkumar R. Visaveliya, Sudip Roy, 2014, Chemistry.

Integrated docking and enhanced sampling-based selection of repurposing drugs for SARS-CoV-2 by targeting host dependent factors

Sadanandam Namsani, J. Singh, Amit Kumawat, 2020, Journal of biomolecular structure & dynamics.

Theoretical investigations of a platinum-water interface using quantum-mechanics-molecular-mechanics based molecular dynamics simulations.

P. Ghosh, Sudip Roy, F. Thakkar, 2019, Physical chemistry chemical physics : PCCP.

Metadynamics-based enhanced sampling protocol for virtual screening: case study for 3CLpro protein for SARS-CoV-2

Sadanandam Namsani, J. Singh, Sudip Roy, 2021, Journal of biomolecular structure & dynamics.

Mechanism of the formation of microphase separated water clusters in a water-mediated physical network of perfluoropolyether tetraol.

P. R. Rajamohanan, C. Tonelli, P. Wadgaonkar, 2018, Soft matter.

Nonuniversality of commonly used correlation-energy density functionals.

M. Springborg, J. Katriel, Sudip Roy, 2006, The Journal of chemical physics.

Selective hydrogenation of 1,5,9-cyclo-dodecatriene towards cyclo-dodecene

F. Müller-Plathe, J. Gaube, Sudip Roy, 2008 .

Proton transport mechanism of imidazole, triazole and phosphoric acid mixtures from ab initio molecular dynamics simulations.

S. Pahari, Sudip Roy, 2015, Physical chemistry chemical physics : PCCP.

Headgroup mediated water insertion into the DPPC bilayer: a molecular dynamics study.

Sudip Roy, P. Pandey, 2011, The journal of physical chemistry. B.

Phase diagram of self-assembled sophorolipid morphologies from mesoscale simulations

Souvik Chakraborty, Sudip Roy, S. Sarkar, 2018 .

Transferability of different classical force fields for right and left handed α-helices constructed from enantiomeric amino acids.

Sudip Roy, S. Sarkar, P. Pandey, 2016, Physical chemistry chemical physics : PCCP.

Propensity of Self-Assembled Leucine-Lysine Diblock Copolymeric α-Helical Peptides To Remain in Parallel and Antiparallel Alignments in Water.

Sudip Roy, S. Sarkar, P. Pandey, 2015, The journal of physical chemistry. B.

Selective CO2 and H2 adsorption in a chiral magnesium-based metal organic framework (Mg-MOF) with open metal sites

R. Banerjee, Pradip Pachfule, Subhadeep Saha, 2010 .

Structure and gas sorption behavior of a new three dimensional porous magnesium formate.

R. Banerjee, Pradip Pachfule, Subhadeep Saha, 2011, Inorganic chemistry.

Effect of polyvinylpyrrolidone at methane hydrate-liquid water interface. Application in flow assurance and natural gas hydrate exploitation

R. Kumar, Sudip Roy, Nilesh Choudhary, 2016 .

Molecular dynamics simulations of heptyl phosphonic acid: a potential polymer component for fuel cell polymer membrane.

F. Müller-Plathe, Sudip Roy, Tamer M Ataol, 2008, The journal of physical chemistry. B.

Characterization of the structures and dynamics of phosphoric acid doped benzimidazole mixtures: a molecular dynamics study

A. Venkatnathan, S. Pahari, Sudip Roy, 2012, Journal of Molecular Modeling.

Probing the ATP-induced conformational flexibility of the PcrA helicase protein using molecular dynamics simulation

A. Mhashal, Sudip Roy, C. K. Choudhury, 2016, Journal of Molecular Modeling.

Methane recovery from marine gas hydrates: A bench scale study in presence of low dosage benign additives

R. Kumar, G. Bhattacharjee, O. S. Kushwaha, 2019, Applied Energy.

Methane hydrate formation in a test sediment of sand and clay at various levels of water saturation

Asheesh Kumar, Sudip Roy, R. Kumar, 2015 .

Scalability of Coarse‐Grained Potentials Generated from Iterative Boltzmann Inversion for Polymers: Case Study on Polycarbonates

P. Carbone, Sudip Roy, C. K. Choudhury, 2016 .

Validation of Force Fields of Rubber through Glass-Transition Temperature Calculation by Microsecond Atomic-Scale Molecular Dynamics Simulation.

H. A. Karimi‐Varzaneh, Sudip Roy, Pragati Sharma, 2016, The journal of physical chemistry. B.

Molecular dynamics study on growth of carbon dioxide and methane hydrate from a seed crystal

R. Kumar, Sudip Roy, Subhadip Das, 2019, Chinese Journal of Chemical Engineering.

A molecular dynamics study of model SI clathrate hydrates: the effect of guest size and guest-water interaction on decomposition kinetics.

R. Kumar, Sudip Roy, V. S. Baghel, 2015, Physical chemistry chemical physics : PCCP.

Glass transition temperature of polybutadiene and polyisoprene from high temperature segmental relaxation correlation using molecular dynamics

P. Sharma, Sudip Roy, 2020 .

Molecular View of CO2 Capture by Polyethylenimine: Role of Structural and Dynamical Heterogeneity.

Suman Chakrabarty, R. Kumar, Sudip Roy, 2018, Langmuir : the ACS journal of surfaces and colloids.

Structural and dynamical properties of polyethylenimine in explicit water at different protonation states: a molecular dynamics study

Sudip Roy, C. K. Choudhury, 2013 .

A study of the adiabatic connection for two-electron systems.

M. Springborg, J. Katriel, Sudip Roy, 2004, The Journal of chemical physics.

Effect of the one-body potential on interelectronic correlation in two-electron systems.

M. Springborg, J. Katriel, Sudip Roy, 2005, The Journal of chemical physics.

Heat Transfer Calculations for Decomposition of Structure I Methane Hydrates by Molecular Dynamics Simulation

R. Kumar, Sudip Roy, V. S. Baghel, 2013 .

Evidence and characterization of dynamic heterogeneity in binary mixtures of phosphoric acid and benzimidazole.

S. Pahari, Sudip Roy, 2013, The Journal of chemical physics.

Effect of Sodium Dodecyl Sulfate Surfactant on Methane Hydrate Formation: A Molecular Dynamics Study.

Suman Chakrabarty, R. Kumar, Sudip Roy, 2018, The journal of physical chemistry. B.

Effect of Gold Nanoparticle on Structure and Fluidity of Lipid Membrane

A. Mhashal, Sudip Roy, 2014, PloS one.

Stability and bandgap of semiconductor clusters

Jan‐Ole Joswig, M. Springborg, P. Sarkar, 2002 .

Ab Initio Calculations of the Condensation of Phosphonic Acid and Methylphosphonic Acid: Chemical Properties of Potential Electrolyte Materials for Fuel Cell Applications

F. Müller-Plathe, Sudip Roy, B. Heggen, 2008 .

Computationally designed antibody–drug conjugates self-assembled via affinity ligands

Gaurao V. Dhoke, Shiladitya Sengupta, P. Dutta, 2019, Nature Biomedical Engineering.

Structural and conformational properties of polybenzimidazoles in melt and phosphoric acid solution: a polyelectrolyte membrane for fuel cells

S. Pahari, Sudip Roy, 2016 .

Theoretical Studies of Structural, Energetic, and Electronic Properties of Clusters

Jan‐Ole Joswig, M. Springborg, V. Grigoryan, 2008 .

Is it Possible to Change Wettability of Hydrophilic Surface by Changing Its Roughness

Sudip Roy, P. Pandey, 2013 .

Optimal control strategies for simultaneous saccharification and fermentation of starch

Sunil S. Shah, R. Gudi, K. Venkatesh, 2001 .

Characterization of conformation and interaction of gene delivery vector polyethylenimine with phospholipid bilayer at different protonation state.

Sudip Roy, C. K. Choudhury, Abhinaw Kumar, 2013, Biomacromolecules.

Morphology and Dynamics of Carbon Nanotube in Polycarbonate Carbon Nanotube Composite from Dissipative Particle Dynamics Simulation

Souvik Chakraborty, Sudip Roy, C. K. Choudhury, 2013 .

Potential Drug Candidates for SARS-CoV-2 Using Computational Screening and Enhanced Sampling Methods

Sadanandam Namsani, J. Singh, Sudip Roy, 2020 .

Structure of nanorod assembly in the gyroid phase of diblock copolymer.

Souvik Chakraborty, Sudip Roy, 2015, The journal of physical chemistry. B.

Model atomistic protrusions favouring the ordering and retention of water.

Sudip Roy, P. Pandey, 2014, Physical chemistry chemical physics : PCCP.

A comparison of different water models for melting point calculation of methane hydrate using molecular dynamics simulations

Suman Chakrabarty, R. Kumar, Sudip Roy, 2019, Chemical Physics.

Structural and Electronic Properties of Indium Phosphide Nanotubes

M. Springborg, Sudip Roy, 2009 .

Assembly of polyethyleneimine in the hexagonal mesophase of nonionic surfactant: effect of pH and temperature.

P. R. Rajamohanan, K. Sharma, G. Kumaraswamy, 2011, The journal of physical chemistry. B.

Early stages of unwinding of zwitterionic α-helical homopolymeric peptides

Sudip Roy, P. Pandey, 2011 .

A computational study to probe the binding aspects of potent polyphenolic inhibitors of pancreatic lipase

Sudip Roy, Sanjay Kottekad, Usharani Dandamudi, 2023, Journal of biomolecular structure & dynamics.

A molecular dynamics study of model SI clathrate hydrates: the effect of guest size and guest-water interaction on decomposition kinetics.

R. Kumar, Sudip Roy, V. S. Baghel, 2015, Physical chemistry chemical physics : PCCP.

Theoretical investigation of the influence of ligands on structural and electronic properties of indium phosphide clusters.

M. Springborg, Sudip Roy, 2005, The journal of physical chemistry. A.

Theoretical Study of Structural and Electronic Properties of Naked Stoichiometric and Nonstoichiometric Indium Phosphide Clusters

M. Springborg, Sudip Roy, 2003 .

Self-Exfoliated Guanidinium-Based Ionic Covalent Organic Nanosheets (iCONs).

R. Banerjee, B. Biswal, Shouvik Mitra, 2016, Journal of the American Chemical Society.