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Molecular Mechanics

Molecular Mechanics (MM) force fields are the methods of choice for protein simulations, which are essential in the study of conformational flexibility. Given the importance of protein flexibility in drug binding, MM is involved in most if not all Computational Structure-Based Drug Discovery (CSBDD)...

Ausführliche Beschreibung

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Bibliographische Detailangaben
Hauptverfasser: Vanommeslaeghe, Kenno, Guvench, Olgun, MacKerell, Alexander D.
Format: Artigo
Sprache:Inglês
Veröffentlicht: 2014
Schlagworte:
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC4026342/
https://ncbi.nlm.nih.gov/pubmed/23947650
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