Complexes of a Zn-metalloenzyme binding site with hydroxamate-containing ligands. A case for detailed benchmarkings of polarizable molecular mechanics/dynamics potentials when the experimental binding structure is unknown

© 2016 Wiley Periodicals, Inc.

Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 37(2016), 32 vom: 15. Dez., Seite 2770-2782
1. Verfasser: Gresh, Nohad (VerfasserIn)
Weitere Verfasser: Perahia, David, de Courcy, Benoit, Foret, Johanna, Roux, Céline, El-Khoury, Lea, Piquemal, Jean-Philip, Salmon, Laurent
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2016
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article Research Support, Non-U.S. Gov't Zn-metalloenzymes drug design hydroxamate ligands polarizable molecular mechanics/dynamics quantum chemistry 5-phosphoarabinonohydroxamic acid Hydroxamic Acids Ligands mehr... Metalloproteins Sugar Phosphates Zinc J41CSQ7QDS