Shakhnovich, Eugene
-
Year of Publication:2023
Mapping the space of photoswitchable ligands and photodruggable proteins with computational modeling
J. Chem. Inf. Model.,2023
-
Year of Publication:2023
Thermal Half-Lives of Azobenzene Derivatives: Virtual Screening Based on Intersystem Crossing Using a Machine Learning Potential
ACS Central Science,2023
-
Year of Publication:2022
Excited state non-adiabatic dynamics of large photoswitchable molecules using a chemically transferable machine learning potential
Nature Communications,vol.13,pp.3440,2022