Suman Chakrabarty
Block JD, Salt Lake
Kolkata, WB 700106, India
Kolkata, WB 700106, India
Last Updated: 09/26/2026
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Found 67 publications
Structural heterogeneity defines the allosteric landscape and conformational selection mechanism of the PDZ2 domain.
Journal: Physical chemistry chemical physics : PCCP
Published: July 31, 2026
Computational strategies for allosteric drug discovery: from cryptic pocket detection to rational design.
Journal: Chemical communications (Cambridge, England)
Published: July 20, 2026
Microwave-assisted thermal profiling of blood: a potential biomarker for differentiating cancer and non-cancer states.
Journal: Journal of medical engineering & technology
Published: July 09, 2026
Pathway Controlled Phase Separation of Minimal Building Blocks Utilizing a Dissociative Chemical Transformation.
Journal: Angewandte Chemie (International ed. in English)
Published: April 24, 2026
CoWERA: A temporal coherence guided binless resampling algorithm for weighted-ensemble based estimation of rare-event kinetics.
Journal: The Journal of chemical physics
Published: December 31, 2025
Mapping Protein-Protein Interaction Hotspots and Unveiling a Cryptic Allosteric Pocket in PLK1 PBD via Mixed-Solvent Molecular Dynamics.
Journal: Chemphyschem : a European journal of chemical physics and physical chemistry
Published: December 14, 2025
PathGennie: Rapid Generation of Rare Event Pathways via Direction-Guided Adaptive Sampling Using Ultrashort Monitored Trajectories.
Journal: Journal of chemical theory and computation
Published: November 10, 2025
Mixed-Solvent Molecular Dynamics Simulation Reveals a Druggable Allosteric Pocket in the PCSK9 C-Terminal Domain.
Journal: The journal of physical chemistry. B
Published: November 03, 2025
Phosphorylation induces altered protonation states and allosterically regulates Rac1-RhoGDI complex.
Phosphorylation induces altered protonation states and allosterically regulates Rac1-RhoGDI complex.
Journal: Protein science : a publication of the Protein Society
Published: August 12, 2025
Transgenic Tobacco Plants Expressing Synthetic Peptides: A Functional and Structural Analysis for Pathogen Resistance.
Journal: Plant biotechnology journal
Published: April 28, 2025
Harnessing Allostery to Modulate Protein-Protein Interactions: From Function to Therapeutic Innovations.
Journal: Journal of molecular biology
Published: April 15, 2025
IceCoder: Identification of Ice Phases in Molecular Simulation Using Variational Autoencoder.
Journal: Journal of chemical theory and computation
Published: February 11, 2025
Last Updated: 09/26/2026