Expert Opinion on Drug Metabolism and Toxicology

Paper

02 Nov 2021

Machine learning models in the prediction of drug metabolism: challenges and future perspectives

View publication

Paper

Molecular recognition of metabotropic glutamate receptor type 1 (mGluR1): Synergistic understanding with free energy perturbation and linear response modeling

Seung-Gu Kang, Payel Das, et al.

Journal of Physical Chemistry B

Paper

Emergence of Alternative Structures in Amyloid Beta 1-42 Monomeric Landscape by N-terminal Hexapeptide Amyloid Inhibitors

Srirupa Chakraborty, Payel Das

Scientific Reports

Paper

Optimizing molecules using efficient queries from property evaluations

Samuel C. Hoffman, Vijil Chenthamarakshan, et al.

Nature Machine Intelligence

Paper

Urea-induced drying of carbon nanotubes suggests existence of a dry globule-like transient state during chemical denaturation of proteins

Payel Das, Ruhong Zhou

Journal of Physical Chemistry B

View all publications