High-resolution mining of the SARS-CoV-2 main protease conformational space: supercomputer-driven unsupervised adaptive sampling.

Autor: Jaffrelot Inizan, Théo, Célerse, Frédéric, Adjoua, Olivier, El Ahdab, Dina, Jolly, Luc-Henri, Liu, Chengwen, Ren, Pengyu, Montes, Matthieu, Lagarde, Nathalie, Lagardεave;re, Louis, Monmarché, Pierre, Piquemal, Jean-Philip
Zdroj: Chemical Science; 4/7/2021, Vol. 12 Issue 13, p4889-4907, 19p
Databáze: Complementary Index