DOX : A new computational protocol for accurate prediction of the protein-ligand binding structures

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Détails bibliographiques
Publié dans:Journal of computational chemistry. - 1984. - 37(2016), 3 vom: 30. Jan., Seite 336-44
Auteur principal: Rao, Li (Auteur)
Autres auteurs: Chi, Bo, Ren, Yanliang, Li, Yongjian, Xu, Xin, Wan, Jian
Format: Article en ligne
Langue:English
Publié: 2016
Accès à la collection:Journal of computational chemistry
Sujets:Journal Article Research Support, Non-U.S. Gov't ONIOM Pose prediction density functional theory extended ONIOM molecular docking protein-drug binding protein-ligand complexes statin plus... Hydroxymethylglutaryl-CoA Reductase Inhibitors Ligands Hydroxymethylglutaryl CoA Reductases EC 1.1.1.-