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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)...

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Bibliographic Details
Main Authors: Vanommeslaeghe, Kenno, Guvench, Olgun, MacKerell, Alexander D.
Format: Artigo
Language:Inglês
Published: 2014
Subjects:
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC4026342/
https://ncbi.nlm.nih.gov/pubmed/23947650
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