Soumendranath Bhakat

Publication Activity (10 Years)

Years Active: 2021-2024
Publications (10 Years): 6

Top Topics

Molecular Dynamics Simulations

Machine Learning

Top Venues

Journal of chemical information and modeling

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Shray Vats, Raitis Bobrovs, Pär Söderhjelm, Soumendranath Bhakat
AlphaFold-SFA: Accelerated sampling of cryptic pocket opening, protein-ligand binding and allostery by AlphaFold, slow feature analysis and metadynamics. PloS one 19 (8) (2024)
Shray Vats, Raitis Bobrovs, Pär Söderhjelm, Soumendranath Bhakat
AlphaFold-SFA: Accelerated sampling of cryptic pocket opening, protein-ligand binding and allostery by AlphaFold, slow feature analysis and metadynamics. PloS one 19 (8) (2024)
Artur Meller, Soumendranath Bhakat, Shahlo Solieva, Gregory R Bowman
Accelerating Cryptic Pocket Discovery Using AlphaFold. Journal of chemical theory and computation (2023)
Soumendranath Bhakat
Collective variable discovery in the age of machine learning: reality, hype and everything in between. RSC advances 12 (38) (2022)
Soumendranath Bhakat, Pär Söderhjelm
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 (4) (2022)
Soumendranath Bhakat
Pepsin-like aspartic proteases (PAPs) as model systems for combining biomolecular simulation with biophysical experiments. RSC advances 11 (18) (2021)