Suman Chakrabarty

32PUBLICATIONS
33CO-AUTHORS
Molecular targetsReaction kinetics and dynamicsNavigation and position fixingStatistical mechanics in chemistryCheminformatics and quantitative structure-activity relationships
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Publications (32)

|May 11, 2026
Mapping Protein-Protein Interaction Hotspots and Unveiling a Cryptic Allosteric Pocket in PLK1 PBD via Mixed-Solvent Molecular Dynamics.

|Apr 06, 2026
CoWERA: A temporal coherence guided binless resampling algorithm for weighted-ensemble based estimation of rare-event kinetics.

Shaheerah Shahid, Dibyendu Maity, Suman Chakrabarty

|Dec 22, 2025
Phosphorylation induces altered protonation states and allosterically regulates Rac1-RhoGDI complex.

Krishnendu Sinha, Amit Kumawat, Hyunbum Jang

|Nov 10, 2025
PathGennie: Rapid Generation of Rare Event Pathways via Direction-Guided Adaptive Sampling Using Ultrashort Monitored Trajectories.

Dibyendu Maity, Shaheerah Shahid, Suman Chakrabarty

|Nov 03, 2025
Mixed-Solvent Molecular Dynamics Simulation Reveals a Druggable Allosteric Pocket in the PCSK9 C-Terminal Domain.

Sutanu Mukhopadhyay, Suman Chakrabarty

|Feb 11, 2025
IceCoder: Identification of Ice Phases in Molecular Simulation Using Variational Autoencoder.

Dibyendu Maity, Suman Chakrabarty

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Frequent Collaborators

4 joint publications

Krishnendu Sinha

3 joint publications

Rajnish Kumar

2 joint publications

Dibyendu Maity

2 joint publications

Sinjan Das