Thiol versus hydroxamate as zinc binding group in HDAC inhibition : An ab initio QM/MM molecular dynamics study

© 2015 Wiley Periodicals, Inc.

Détails bibliographiques
Publié dans:Journal of computational chemistry. - 1984. - 36(2015), 30 vom: 15. Nov., Seite 2228-35
Auteur principal: Gong, Wenjing (Auteur)
Autres auteurs: Wu, Ruibo, Zhang, Yingkai
Format: Article en ligne
Langue:English
Publié: 2015
Accès à la collection:Journal of computational chemistry
Sujets:Journal Article Research Support, N.I.H., Extramural Research Support, Non-U.S. Gov't HDAC QM/MM Zinc enzyme inhibitor molecular dynamics Depsipeptides Histone Deacetylase Inhibitors plus... Hydroxamic Acids Sulfhydryl Compounds Vorinostat 58IFB293JI romidepsin CX3T89XQBK Histone Deacetylases EC 3.5.1.98 Zinc J41CSQ7QDS