Modeling of novel CDK7 inhibitors activity by molecular dynamics and free energy perturbation methods

Publication date: July–August 2020Source: Mendeleev Communications, Volume 30, Issue 4Author(s): Polina V. Rusina, Ilya Yu. Titov, Maria V. Panova, Victor S. Stroylov, Yana R. Abdyusheva, Elizaveta Yu. Murlatova, Igor V. Svitanko, Fedor N. Novikov

Source: Mendeleev Communications - August 13, 2020 Category: Chemistry Source Type: research