Debarati DasGupta

Publication Activity (10 Years)

Years Active: 2017-2022
Publications (10 Years): 4

Top Topics

Protein Protein

Component Analysis

Molecular Level

Automatic Identification

Top Venues

J. Comput. Chem.

J. Chem. Inf. Model.

Publications

Debarati DasGupta, Wallace K. B. Chan, Heather A. Carlson
Computational Identification of Possible Allosteric Sites and Modulators of the SARS-CoV-2 Main Protease. J. Chem. Inf. Model. 62 (3) (2022)
Wallace K. B. Chan, Debarati DasGupta, Heather A. Carlson, John R. Traynor
Mixed-solvent molecular dynamics simulation-based discovery of a putative allosteric site on regulator of G protein signaling 4. J. Comput. Chem. 42 (30) (2021)
Phani Ghanakota, Debarati DasGupta, Heather A. Carlson
Free Energies and Entropies of Binding Sites Identified by MixMD Cosolvent Simulations. J. Chem. Inf. Model. 59 (5) (2019)
Debarati DasGupta, Varun Mandalaparthy, Bhyravabhotla Jayaram
A component analysis of the free energies of folding of 35 proteins: A consensus view on the thermodynamics of folding at the molecular level. J. Comput. Chem. 38 (32) (2017)