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Machine‐learning scoring functions to improve structure‐based binding affinity prediction and virtual screening

Docking tools to predict whether and how a small molecule binds to a target can be applied if a structural model of such target is available. The reliability of docking depends, however, on the accuracy of the adopted scoring function (SF). Despite intense research over the years, improving the accu...

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書目詳細資料
發表在:Wiley Interdiscip Rev Comput Mol Sci
Main Authors: Ain, Qurrat Ul, Aleksandrova, Antoniya, Roessler, Florian D., Ballester, Pedro J.
格式: Artigo
語言:Inglês
出版: John Wiley & Sons, Inc. 2015
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在線閱讀:https://ncbi.nlm.nih.gov/pmc/articles/PMC4832270/
https://ncbi.nlm.nih.gov/pubmed/27110292
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/wcms.1225
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