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Comparing Neural-Network Scoring Functions and the State of the Art: Applications to Common Library Screening
[Image: see text] We compare established docking programs, AutoDock Vina and Schrödinger’s Glide, to the recently published NNScore scoring functions. As expected, the best protocol to use in a virtual-screening project is highly dependent on the target receptor being studied. However, the mean scre...
Autores principales: | Durrant, Jacob D., Friedman, Aaron J., Rogers, Kathleen E., McCammon, J. Andrew |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2013
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3735370/ https://www.ncbi.nlm.nih.gov/pubmed/23734946 http://dx.doi.org/10.1021/ci400042y |
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