Assessment and acceleration of binding energy calculations for protein-ligand complexes by the fragment molecular orbital method

Assessment and acceleration of binding energy calculations for protein-ligand complexes by the fragment molecular orbital method

© 2015 Wiley Periodicals, Inc.

Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 36(2015), 30 vom: 15. Nov., Seite 2209-18
1. Verfasser: Otsuka, Takao (VerfasserIn)
Weitere Verfasser: Okimoto, Noriaki, Taiji, Makoto
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2015
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article Research Support, Non-U.S. Gov't binding affinity fragment molecular orbital method protein-ligand interaction quantitative structure-activity relationship model Ligands Tacrolimus Binding Proteins EC 5.2.1.-
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