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Statistical Prediction and Molecular Dynamics Simulation

We describe a statistical approach to the validation and improvement of molecular dynamics simulations of macromolecules. We emphasize the use of molecular dynamics simulations to calculate thermodynamic quantities that may be compared to experimental measurements, and the use of a common set of ene...

詳細記述

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書誌詳細
主要な著者: Cooke, Ben, Schmidler, Scott C.
フォーマット: Artigo
言語:Inglês
出版事項: The Biophysical Society 2008
主題:
オンライン・アクセス:https://ncbi.nlm.nih.gov/pmc/articles/PMC2576400/
https://ncbi.nlm.nih.gov/pubmed/18676654
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.108.131623
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