Likelihood-based non-Markovian models from molecular dynamics

por Vroylandt, Hadrien, Goudenège, Ludovic, Monmarché, Pierre, Pietrucci, Fabio, Rotenberg, Benjamin
Publicado 2022

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

por Jaffrelot Inizan, Théo, Célerse, Frédéric, Adjoua, Olivier, El Ahdab, Dina, Jolly, Luc-Henri, Liu, Chengwen, Ren, Pengyu, Montes, Matthieu, Lagarde, Nathalie, Lagardère, Louis, Monmarché, Pierre, Piquemal, Jean-Philip
Publicado 2021