Capturing protein–ligand recognition pathways in coarse-grained simulation BR Dandekar, J Mondal The Journal of Physical Chemistry Letters 11 (13), 5302-5311, 2020 | 25 | 2020 |
Selective and rapid water transportation across a self-assembled peptide-diol channel via the formation of a dual water array D Mondal, BR Dandekar, M Ahmad, A Mondal, J Mondal, P Talukdar Chemical Science 13 (33), 9614-9623, 2022 | 11 | 2022 |
Reconciling conformational heterogeneity and substrate recognition in cytochrome P450 BR Dandekar, N Ahalawat, J Mondal Biophysical Journal 120 (9), 1732-1745, 2021 | 7 | 2021 |
Mechanistic Insight into the Amyloid Fibrillation Inhibition of Hen Egg White Lysozyme by Three Different Bile Acids NA Jamuna, A Kamalakshan, BR Dandekar, AM Chittilappilly Devassy, ... The Journal of Physical Chemistry B 127 (10), 2198-2213, 2023 | 4 | 2023 |
Enhancement of Peroxidase Activity in Magnetic Ionic Liquids KD Tulsiyan, A Mahalik, BR Dandekar, J Mondal, HS Biswal ACS Sustainable Chemistry & Engineering 11 (23), 8487-8494, 2023 | 3 | 2023 |
Role of molecular dynamics in optimising ligand discovery: Case study with novel inhibitor search for peptidyl t-RNA hydrolase BR Dandekar, S Sinha, J Mondal Chemical Physics Impact 3, 100048, 2021 | 3 | 2021 |
Markov State Models Reconcile Conformational Plasticity of GTPase with Its Substrate Binding Event BR Dandekar, N Ahalawat, S Sinha, J Mondal JACS Au 3 (6), 1728-1741, 2023 | 1 | 2023 |
Structural determinants of pathogenesis in the ring domain of BRCA1 BR Dandekar, A Bhattacharjee Biophysical Journal 123 (3), 342a, 2024 | | 2024 |
Nonmonotonic Modulation of the Protein–Ligand Recognition Event by Inert Crowders BR Dandekar, BB Majumdar, J Mondal The Journal of Physical Chemistry B 127 (34), 7449-7461, 2023 | | 2023 |