| Hidden electrostatic basis of dynamic allostery in a PDZ domain A Kumawat, S Chakrabarty Proceedings of the National Academy of Sciences 114 (29), E5825-E5834, 2017 | 89 | 2017 |
| Nucleotide dependent switching in rho GTPase: conformational heterogeneity and competing molecular interactions A Kumawat, S Chakrabarty, K Kulkarni Scientific reports 7 (1), 45829, 2017 | 26 | 2017 |
| Organoselenium compounds as acetylcholinesterase inhibitors: Evidence and mechanism of mixed inhibition A Kumawat, S Raheem, F Ali, TA Dar, S Chakrabarty, MA Rizvi The Journal of Physical Chemistry B 125 (6), 1531-1541, 2021 | 18 | 2021 |
| Protonation-induced dynamic allostery in PDZ domain: evidence of perturbation-independent universal response network A Kumawat, S Chakrabarty The Journal of Physical Chemistry Letters 11 (21), 9026-9031, 2020 | 12 | 2020 |
| Integrated docking and enhanced sampling-based selection of repurposing drugs for SARS-CoV-2 by targeting host dependent factors A Kumawat, S Namsani, D Pramanik, S Roy, JK Singh Journal of Biomolecular Structure and Dynamics 40 (20), 9897-9908, 2022 | 9 | 2022 |
| hERG stereoselective modulation by mexiletine‐derived ureas: Molecular docking study, synthesis, and biological evaluation G Milani, R Budriesi, E Tavazzani, MM Cavalluzzi, LB Mattioli, DV Miniero, ... Archiv der Pharmazie 356 (10), 2300116, 2023 | 1 | 2023 |
| A thermodynamic view of dynamic allostery in a PDZ domain protein A Kumawat, S Chakrabarty Biophysical Journal 116 (3), 163a, 2019 | 1 | 2019 |
| Elucidating the microscopic origin of observed anti-correlation between the protein-protein and protein-water interaction energies K Sinha, A Kumawat, S Chakrabarty Chemical Physics Impact 8, 100421, 2024 | | 2024 |
| Molecular mechanism of regulation of RhoA GTPase by phosphorylation of RhoGDI K Sinha, A Kumawat, H Jang, R Nussinov, S Chakrabarty Biophysical Journal 123 (1), 57-67, 2024 | | 2024 |
| Molecular Insights into the Rescue Mechanism of an hERG Activator Against Severe LQT2 Mutations. A Kumawat, E Tavazzani, G Lentini, A Trancuccio, D Kukavica, M Denegri, ... bioRxiv, 2024.03. 13.584147, 2024 | | 2024 |
| Rekindle therapeutic strategies for long QT syndrome from gain of function (IKr) mutations in hERG A Kumawat, C Camilloni Biophysical Journal 122 (3), 388a, 2023 | | 2023 |
| Molecular thermodynamic view of bimolecular signaling: allostery and protein-protein interaction A Kumawat CSIR-National Chemical Laboratory, 2020 | | 2020 |
Suman ChakrabartyS. N. Bose National Centre for Basic Sciences, Kolkata, IndiaVerified email at bose.res.in
