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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...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
John Wiley & Sons, Inc.
2015
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4832270/ https://www.ncbi.nlm.nih.gov/pubmed/27110292 http://dx.doi.org/10.1002/wcms.1225 |