Zobrazeno 1 - 1
of 1
pro vyhledávání: '"María Elena Schembri"'
Autor:
María Isabel Fernández-Bachiller, Songhwan Hwang, María Elena Schembri, Peter Lindemann, Mónica Guberman, Svenja Herziger, Edgar Specker, Hans Matter, David W. Will, Jörg Czech, Michael Wagner, Armin Bauer, Herman Schreuder, Kurt Ritter, Matthias Urmann, Volkmar Wehner, Han Sun, Marc Nazaré
Publikováno v:
Journal of Medicinal Chemistry. 65:13013-13028
The accurate prediction of protein-ligand binding affinity belongs to one of the central goals in computer-based drug design. Molecular dynamics (MD)-based free energy calculations have become increasingly popular in this respect due to their accurac
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5b8a1e421784852173ad676bcf5b0524
https://doi.org/10.1021/acs.jmedchem.2c00865
https://doi.org/10.1021/acs.jmedchem.2c00865
