Soumendranath Bhakat
Affiliations: | 2015-2020 | Biophysics | Lund University, Lund, Skåne län, Sweden |
| 2021- | Biochemistry and Biophysics | Washington University School of Medicine, St. Louis, MO, United States |
Area:
enhanced sampling, molecular dynamics, biophysicsWebsite:
https://cbiores.comGoogle:
"Soumendranath Bhakat"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Pär Söderhjelm | grad student | 2015-2020 | Lund University |
| Gregory R. Bowman | post-doc | 2021- | Washington University School of Medicine |
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Publications
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| Vats S, Bobrovs R, Söderhjelm P, et al. (2024) AlphaFold-SFA: Accelerated sampling of cryptic pocket opening, protein-ligand binding and allostery by AlphaFold, slow feature analysis and metadynamics. Plos One. 19: e0307226 |
| Meller A, Bhakat S, Solieva S, et al. (2023) Accelerating Cryptic Pocket Discovery Using AlphaFold. Journal of Chemical Theory and Computation |
| Polino AJ, Miller JJ, Bhakat S, et al. (2022) The nepenthesin insert in the Plasmodium falciparum aspartic protease plasmepsin V is necessary for enzyme function. The Journal of Biological Chemistry. 102355 |
| Bhakat S, Söderhjelm P. (2022) Flap Dynamics in Pepsin-Like Aspartic Proteases: A Computational Perspective Using Plasmepsin-II and BACE-1 as Model Systems. Journal of Chemical Information and Modeling. 62: 914-926 |
| Bhakat S, Söderhjelm P. (2022) Flap Dynamics in Pepsin-Like Aspartic Proteases: A Computational Perspective Using Plasmepsin-II and BACE-1 as Model Systems Journal of Chemical Information and Modeling. 62: 914–926 |
| Bhakat S. (2021) Pepsin-like aspartic proteases (PAPs) as model systems for combining biomolecular simulation with biophysical experiments. Rsc Advances. 11: 11026-11047 |
| Bhakat S. (2021) Pepsin-like aspartic proteases (PAPs) as model systems for combining biomolecular simulation with biophysical experiments Rsc Advances. 11: 11026-11047 |
| Bhakat S, Åberg E, Söderhjelm P. (2017) Prediction of binding poses to FXR using multi-targeted docking combined with molecular dynamics and enhanced sampling. Journal of Computer-Aided Molecular Design |
| Bhakat S, Söderhjelm P. (2017) Resolving the problem of trapped water in binding cavities: prediction of host-guest binding free energies in the SAMPL5 challenge by funnel metadynamics. Journal of Computer-Aided Molecular Design. 31: 119-132 |
| Moonsamy S, Bhakat S, Ramesh M, et al. (2016) Identification of Binding Mode and Prospective Structural Features of Novel Nef Protein Inhibitors as Potential Anti-HIV Drugs. Cell Biochemistry and Biophysics |