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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...
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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: |
The Biophysical Society
2008
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| 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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