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Computations of Standard Binding Free Energies with Molecular Dynamics Simulations
An increasing number of studies have reported computations of the absolute binding free energy of small ligands to proteins using molecular dynamics (MD) simulations with results that are in good agreement with experiments. This encouraging progress suggests that physics-based approaches hold the pr...
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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: |
2009
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| 主題: | |
| オンライン・アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3837708/ https://ncbi.nlm.nih.gov/pubmed/19146384 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp807701h |
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