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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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| 主要な著者: | , |
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| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
2011
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| 主題: | |
| オンライン･アクセス: | 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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