Benchmark of four popular virtual screening programs: construction of the active/decoy dataset remains a major determinant of measured performance

BACKGROUND: In a structure-based virtual screening, the choice of the docking program is essential for the success of a hit identification. Benchmarks are meant to help in guiding this choice, especially when undertaken on a large variety of protein targets. Here, the performance of four popular vir...

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Detalles Bibliográficos
Autores principales: Chaput, Ludovic, Martinez-Sanz, Juan, Saettel, Nicolas, Mouawad, Liliane
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2016
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5066283/
https://www.ncbi.nlm.nih.gov/pubmed/27803745
http://dx.doi.org/10.1186/s13321-016-0167-x

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5066283/
https://www.ncbi.nlm.nih.gov/pubmed/27803745
http://dx.doi.org/10.1186/s13321-016-0167-x

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