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Toward canonical ensemble distribution from self-guided Langevin dynamics simulation

This work derives a quantitative description of the conformational distribution in self-guided Langevin dynamics (SGLD) simulations. SGLD simulations employ guiding forces calculated from local average momentums to enhance low-frequency motion. This enhancement in low-frequency motion dramatically a...

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書目詳細資料
Main Authors: Wu, Xiongwu, Brooks, Bernard R.
格式: Artigo
語言:Inglês
出版: U.S. Government 2011
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在線閱讀:https://ncbi.nlm.nih.gov/pmc/articles/PMC3087419/
https://ncbi.nlm.nih.gov/pubmed/21476744
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3574397
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