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PHOENIX: A Scoring Function for Affinity Prediction Derived Using High-Resolution Crystal Structures and Calorimetry Measurements

Binding affinity prediction is one of the most critical components to computer-aided structure-based drug design. Despite advances in first-principle methods for predicting binding affinity, empirical scoring functions that are fast and only relatively accurate are still widely used in structure-bas...

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書目詳細資料
Main Authors: Tang, Yat T., Marshall, Garland R.
格式: Artigo
語言:Inglês
出版: 2011
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在線閱讀:https://ncbi.nlm.nih.gov/pmc/articles/PMC3046228/
https://ncbi.nlm.nih.gov/pubmed/21214225
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci100257s
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