Eugene Shakhnovich

According to our database, Eugene Shakhnovich authored at least 4 papers between 2020 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2023

Mapping the Space of Photoswitchable Ligands and Photodruggable Proteins with Computational Modeling.

Simon Axelrod, Eugene Shakhnovich, Rafael Gómez-Bombarelli

J. Chem. Inf. Model., September, 2023

2022

Thermal half-lives of azobenzene derivatives: virtual screening based on intersystem crossing using a machine learning potential.

Simon Axelrod, Eugene Shakhnovich, Rafael Gómez-Bombarelli

CoRR, 2022

2021

Excited state, non-adiabatic dynamics of large photoswitchable molecules using a chemically transferable machine learning potential.

Simon Axelrod, Eugene Shakhnovich, Rafael Gómez-Bombarelli

CoRR, 2021

2020

Validation of DBFOLD: An efficient algorithm for computing folding pathways of complex proteins.

Amir Bitran, William M. Jacobs, Eugene Shakhnovich

PLoS Comput. Biol., 2020