Eugene Shakhnovich

Publication Activity (10 Years)

Years Active: 2020-2023
Publications (10 Years): 4

Top Topics

Machine Learning

Virtual Screening

Chemical Structures

Top Venues

J. Chem. Inf. Model.

PLoS Comput. Biol.

Publications

Simon Axelrod, Eugene Shakhnovich, Rafael Gómez-Bombarelli
Mapping the Space of Photoswitchable Ligands and Photodruggable Proteins with Computational Modeling. J. Chem. Inf. Model. 63 (18) (2023)
Simon Axelrod, Eugene Shakhnovich, Rafael Gómez-Bombarelli
Thermal half-lives of azobenzene derivatives: virtual screening based on intersystem crossing using a machine learning potential. CoRR (2022)
Simon Axelrod, Eugene Shakhnovich, Rafael Gómez-Bombarelli
Excited state, non-adiabatic dynamics of large photoswitchable molecules using a chemically transferable machine learning potential. CoRR (2021)
Amir Bitran, William M. Jacobs, Eugene Shakhnovich
Validation of DBFOLD: An efficient algorithm for computing folding pathways of complex proteins. PLoS Comput. Biol. 16 (11) (2020)