Ionic liquid induced dehydration and domain closure in lysozyme: FCS and MD simulation S Ghosh, S Parui, B Jana, K Bhattacharyya The Journal of Chemical Physics 143 (12), 2015 | 41 | 2015 |
Interaction of proteins with ionic liquid, alcohol and DMSO and in situ generation of gold nano-clusters in a cell S Nandi, S Parui, R Halder, B Jana, K Bhattacharyya Biophysical reviews 10, 757-768, 2018 | 33 | 2018 |
Factors promoting the formation of clathrate-like ordering of water in biomolecular structure at ambient temperature and pressure S Parui, B Jana The Journal of Physical Chemistry B 123 (4), 811-824, 2019 | 23 | 2019 |
Destabilization of hydrophobic core of chicken villin headpiece in guanidinium chloride induced denaturation: hint of π-cation interaction S Parui, RN Manna, B Jana The Journal of Physical Chemistry B 120 (36), 9599-9607, 2016 | 21 | 2016 |
Pairwise hydrophobicity at low temperature: appearance of a stable second solvent-separated minimum with possible implication in cold denaturation S Parui, B Jana The Journal of Physical Chemistry B 121 (29), 7016-7026, 2017 | 19 | 2017 |
Molecular insights into the unusual structure of an antifreeze protein with a hydrated core S Parui, B Jana The Journal of Physical Chemistry B 122 (43), 9827-9839, 2018 | 15 | 2018 |
Local environment of organic dyes in an ionic liquid-water mixture: FCS and MD simulation S Nandi, S Parui, B Jana, K Bhattacharyya The Journal of Chemical Physics 149 (5), 2018 | 15 | 2018 |
Accelerating protein folding molecular dynamics using inter-residue distances from machine learning servers R Nassar, E Brini, S Parui, C Liu, GL Dignon, KA Dill Journal of Chemical Theory and Computation 18 (3), 1929-1935, 2022 | 12 | 2022 |
Relative solvent exposure of the alpha-helix and beta-sheet in water determines the initial stages of urea and guanidinium chloride-induced denaturation of alpha/beta proteins S Parui, B Jana The Journal of Physical Chemistry B 123 (42), 8889-8900, 2019 | 12 | 2019 |
Cold Denaturation Induced Helix-to-Helix Transition and its Implication to Activity of Helical Antifreeze Protein S Parui, B Jana Journal of Molecular Liquids, 2021 | 8 | 2021 |
MELD-Bracket Ranks Binding Affinities of Diverse Sets of Ligands S Parui, JC Robertson, S Somani, G Tresadern, C Liu, KA Dill Journal of Chemical Information and Modeling 63 (9), 2857-2865, 2023 | 1 | 2023 |
Computing Free Energies of Fold-Switching Proteins Using MELD x MD S Parui, E Brini, KA Dill Journal of Chemical Theory and Computation 19 (19), 6839-6847, 2023 | | 2023 |
Exploring the consequence of low temparature pair hydrophobicity on protein structure and the mechanism of chemical denaturation of protein S Parui Kolkata, 0 | | |