Chemistry42: An AI-Driven Platform for Molecular Design and Optimization

por Ivanenkov, Yan A., Polykovskiy, Daniil, Bezrukov, Dmitry, Zagribelnyy, Bogdan, Aladinskiy, Vladimir, Kamya, Petrina, Aliper, Alex, Ren, Feng, Zhavoronkov, Alex
Publicado 2023

The Hitchhiker’s Guide to Deep Learning Driven Generative Chemistry

por Ivanenkov, Yan, Zagribelnyy, Bogdan, Malyshev, Alex, Evteev, Sergei, Terentiev, Victor, Kamya, Petrina, Bezrukov, Dmitry, Aliper, Alex, Ren, Feng, Zhavoronkov, Alex
Publicado 2023

Influenza A virus polymerase acidic protein E23G/K substitutions weaken key baloxavir drug-binding contacts with minimal impact on replication and transmission

por Jones, Jeremy C., Zagribelnyy, Bogdan, Pascua, Philippe Noriel Q., Bezrukov, Dmitry S., Barman, Subrata, Okda, Faten, Webby, Richard J., Ivanenkov, Yan A., Govorkova, Elena A.
Publicado 2022

Identification of Novel Antibacterials Using Machine Learning Techniques

por Ivanenkov, Yan A., Zhavoronkov, Alex, Yamidanov, Renat S., Osterman, Ilya A., Sergiev, Petr V., Aladinskiy, Vladimir A., Aladinskaya, Anastasia V., Terentiev, Victor A., Veselov, Mark S., Ayginin, Andrey A., Kartsev, Victor G., Skvortsov, Dmitry A., Chemeris, Alexey V., Baimiev, Alexey Kh., Sofronova, Alina A., Malyshev, Alexander S., Filkov, Gleb I., Bezrukov, Dmitry S., Zagribelnyy, Bogdan A., Putin, Evgeny O., Puchinina, Maria M., Dontsova, Olga A.
Publicado 2019