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Normal Mode Analysis with Molecular Geometry Restraints: Bridging Molecular Mechanics and Elastic Models

A new method for normal mode analysis is reported for all-atom structures using molecular geometry restraints (MGR). Similar to common molecular mechanics force fields, the MGR potential contains short- and long-range terms. The short-range terms are defined by molecular geometry, i.e. bond lengths,...

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Sonraí Bibleagrafaíochta
Main Authors: Lu, Mingyang, Ma, Jianpeng
Formáid: Artigo
Teanga:Inglês
Foilsithe: 2011
Ábhair:
Rochtain Ar Líne:https://ncbi.nlm.nih.gov/pmc/articles/PMC3547653/
https://ncbi.nlm.nih.gov/pubmed/21211510
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.abb.2010.12.031
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