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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...

詳細記述

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書誌詳細
主要な著者: Deng, Yuqing, Roux, Benoît
フォーマット: Artigo
言語:Inglês
出版事項: 2009
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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