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Correlation between Virtual Screening Performance and Binding Site Descriptors of Protein Targets
Rescoring is a simple approach that theoretically could improve the original docking results. In this study AutoDock Vina was used as a docked engine and three other scoring functions besides the original scoring function, Vina, as well as their combinations as consensus scoring functions were emplo...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Hindawi
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5818911/ https://www.ncbi.nlm.nih.gov/pubmed/29545955 http://dx.doi.org/10.1155/2018/3829307 |