Eugene Shakhnovich

According to our database, Eugene Shakhnovich authored at least 5 papers between 2020 and 2026.

Collaborative distances:

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

2026

Computational Design and Experimental Validation of Photoactive PARP1 Inhibitors.

Simon Axelrod, Miroslav Kaspar, Kristýna Jelínková, Markéta Smídková, Erika Bartunková, Sille Stepánová, Eugene Shakhnovich, Václav Kasicka, Martin Dracínský, Zlatko Janeba, Rafael Gómez-Bombarelli

CoRR, April, 2026

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