Including ligand-induced protein flexibility into protein tunnel prediction

© 2014 Wiley Periodicals, Inc.

Détails bibliographiques
Publié dans:Journal of computational chemistry. - 1984. - 35(2014), 24 vom: 15. Sept., Seite 1748-56
Auteur principal: Kingsley, Laura J (Auteur)
Autres auteurs: Lill, Markus A
Format: Article en ligne
Langue:English
Publié: 2014
Accès à la collection:Journal of computational chemistry
Sujets:Journal Article Research Support, N.I.H., Extramural Research Support, U.S. Gov't, Non-P.H.S. conformational ensemble cytochrome P450 2B6 induced fit potential of mean force protein flexibility steered molecular dynamics tunnel prediction plus... umbrella sampling 1-(4-chlorophenyl)imidazole Imidazoles Ligands CYP2B6 protein, human EC 1.14.14.1 Cytochrome P-450 CYP2B6