Differences in ligand-induced protein dynamics extracted from an unsupervised deep learning approach correlate with protein–ligand binding affinities

por Yasuda, Ikki, Endo, Katsuhiro, Yamamoto, Eiji, Hirano, Yoshinori, Yasuoka, Kenji
Publicado 2022

Unsupervised deep learning for molecular dynamics simulations: a novel analysis of protein–ligand interactions in SARS-CoV-2 M(pro)

por Mustali, Jessica, Yasuda, Ikki, Hirano, Yoshinori, Yasuoka, Kenji, Gautieri, Alfonso, Arai, Noriyoshi
Publicado 2023