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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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Detaylı Bibliyografya
Yayımlandı:Wiley Interdiscip Rev Comput Mol Sci
Asıl Yazarlar: Ain, Qurrat Ul, Aleksandrova, Antoniya, Roessler, Florian D., Ballester, Pedro J.
Materyal Türü: Artigo
Dil:Inglês
Baskı/Yayın Bilgisi: John Wiley & Sons, Inc. 2015
Konular:
Online Erişim: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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