| Molecular dynamics simulations of aqueous NaCl and KCl solutions: Effects of ion concentration on the single-particle, pair, and collective dynamical properties of ions and … S Chowdhuri, A Chandra The Journal of Chemical Physics 115 (8), 3732-3741, 2001 | 377 | 2001 |
| Evaluation of green tea polyphenols as novel corona virus (SARS CoV-2) main protease (Mpro) inhibitors – an in silico docking and molecular dynamics simulation … R Ghosh, A Chakraborty, A Biswas, S Chowdhuri Journal of Biomolecular Structure and Dynamics 39 (12), 4362-4374, 2021 | 330 | 2021 |
| Dynamics of halide Ion− Water hydrogen bonds in aqueous solutions: Dependence on ion size and temperature S Chowdhuri, A Chandra The Journal of Physical Chemistry B 110 (19), 9674-9680, 2006 | 175 | 2006 |
| Hydrogen bonds in aqueous electrolyte solutions: Statistics and dynamics based on both geometric and energetic criteria S Chowdhuri, A Chandra Physical Review E 66 (4), 041203, 2002 | 111 | 2002 |
| Hydration structure and diffusion of ions in supercooled water: Ion size effects S Chowdhuri, A Chandra The Journal of chemical physics 118 (21), 9719-9725, 2003 | 105 | 2003 |
| Identification of polyphenols from Broussonetia papyrifera as SARS CoV-2 main protease inhibitors using in silico docking and molecular dynamics simulation … R Ghosh, A Chakraborty, A Biswas, S Chowdhuri Journal of Biomolecular Structure and Dynamics 39 (17), 6747-6760, 2021 | 80 | 2021 |
| Pressure effects on the dynamics and hydrogen bond properties of aqueous electrolyte solutions: The role of ion screening A Chandra, S Chowdhuri The Journal of Physical Chemistry B 106 (26), 6779-6783, 2002 | 72 | 2002 |
| Identification of alkaloids from Justicia adhatoda as potent SARS CoV-2 main protease inhibitors: An in silico perspective R Ghosh, A Chakraborty, A Biswas, S Chowdhuri Journal of molecular structure 1229, 129489, 2021 | 70 | 2021 |
| Effect of water on solvation structure and dynamics of ions in the peptide bond environment: importance of hydrogen bonding and dynamics of the solvents SK Pattanayak, S Chowdhuri The Journal of Physical Chemistry B 115 (45), 13241-13252, 2011 | 56 | 2011 |
| Computer aided identification of potential SARS CoV-2 main protease inhibitors from diterpenoids and biflavonoids of Torreya nucifera leaves R Ghosh, A Chakraborty, A Biswas, S Chowdhuri Journal of Biomolecular Structure and Dynamics 40 (6), 2647-2662, 2022 | 50 | 2022 |
| Dynamical properties of the soft sticky dipole-quadrupole-octupole water model: a molecular dynamics study S Chowdhuri, ML Tan, T Ichiye The Journal of chemical physics 125 (14), 2006 | 48 | 2006 |
| Depicting the inhibitory potential of polyphenols from Isatis indigotica root against the main protease of SARS CoV-2 using computational approaches R Ghosh, A Chakraborty, A Biswas, S Chowdhuri Journal of Biomolecular Structure and Dynamics 40 (9), 4110-4121, 2022 | 36 | 2022 |
| Solute size effects on the solvation structure and diffusion of ions in liquid methanol under normal and cold conditions S Chowdhuri, A Chandra The Journal of chemical physics 124 (8), 2006 | 36 | 2006 |
| Effects of concentrated NaCl and KCl solutions on the behaviour of aqueous peptide bond environment: single-particle dynamics and H-bond structural relaxation SK Pattanayak, S Chowdhuri Molecular Physics 111 (21), 3297-3310, 2013 | 35 | 2013 |
| A molecular dynamics simulations study on the behavior of liquid N-methylacetamide in presence of NaCl: Structure, dynamics and H-bond properties SK Pattanayak, S Chowdhuri Journal of Molecular Liquids 172, 102-109, 2012 | 34 | 2012 |
| Effects of methanol on the hydrogen bonding structure and dynamics in aqueous N-methylacetamide solution SK Pattanayak, S Chowdhuri Journal of Molecular Liquids 194, 141-148, 2014 | 33 | 2014 |
| Effect of temperature and pressure on the structure, dynamics, and hydrogen bond properties of liquid N-methylacetamide: A molecular dynamics study SK Pattanayak, N Prashar, S Chowdhuri The Journal of chemical physics 134 (15), 2011 | 32 | 2011 |
| Effects of co-solutes on the hydrogen bonding structure and dynamics in aqueous N-methylacetamide solution: a molecular dynamics simulations study SK Pattanayak, P Chettiyankandy, S Chowdhuri Molecular Physics 112 (22), 2906-2919, 2014 | 31 | 2014 |
| Tracer diffusion of ionic and hydrophobic solutes in water–dimethyl sulfoxide mixtures: effects of varying composition S Chowdhuri, A Chandra The Journal of chemical physics 119 (8), 4360-4366, 2003 | 31 | 2003 |
| Dynamics of ionic and hydrophobic solutes in water-methanol mixtures of varying composition S Chowdhuri, A Chandra The Journal of chemical physics 123 (23), 2005 | 30 | 2005 |
