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Effective Estimation of Ligand-Binding Affinity Using Biased Sampling Method

[Image: see text] The binding between two biomolecules is one of the most critical factors controlling many bioprocesses. Therefore, it is of great interest to derive a reliable method to calculate the free binding energy between two biomolecules. In this work, we have demonstrated that the binding...

詳細記述

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書誌詳細
出版年:ACS Omega
主要な著者: Ngo, Son Tung, Vu, Khanh B., Bui, Le Minh, Vu, Van V.
フォーマット: Artigo
言語:Inglês
出版事項: American Chemical Society 2019
オンライン・アクセス:https://ncbi.nlm.nih.gov/pmc/articles/PMC6648447/
https://ncbi.nlm.nih.gov/pubmed/31459599
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.8b03258
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