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Entropy and Free Energy of a Mobile Protein Loop in Explicit Water
Estimation of the energy from a given Boltzmann sample is straightforward since one just has to average the contribution of the individual configurations. On the other hand, calculation of the absolute entropy, S (hence the absolute free energy F) is difficult because it depends on the entire (unkno...
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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: |
2008
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| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2671085/ https://ncbi.nlm.nih.gov/pubmed/18613721 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp801827f |
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