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...

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Detalles Bibliográficos
Autores principales: Durrant, Jacob D., Friedman, Aaron J., Rogers, Kathleen E., McCammon, J. Andrew
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2013
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

Internet

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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