2 code implementations • 23 Jul 2022 • Simon Axelrod, Eugene Shakhnovich, Rafael Gomez-Bombarelli
We use our approach to predict the thermal half-lives of 19, 000 azobenzene derivatives.
no code implementations • 10 Aug 2021 • Simon Axelrod, Eugene Shakhnovich, Rafael Gómez-Bombarelli
For example, photoisomerization can allow a drug with a photo-switchable scaffold such as azobenzene to be activated with light.
no code implementations • 2 Nov 2020 • Yanmin Zhang, Sourav Choudhury, Joao Rodrigues, Eugene Shakhnovich
A potential approach to block resistance is to simultaneously inhibit WT and known escape variants of the target bacterial protein.