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Exponential consensus ranking improves the outcome in docking and receptor ensemble docking

Consensus-scoring methods are commonly used with molecular docking in virtual screening campaigns to filter potential ligands for a protein target. Traditional consensus methods combine results from different docking programs by averaging the score or rank of each molecule obtained from individual p...

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Publicat a:Sci Rep
Autors principals: Palacio-Rodríguez, Karen, Lans, Isaias, Cavasotto, Claudio N., Cossio, Pilar
Format: Artigo
Idioma:Inglês
Publicat: Nature Publishing Group UK 2019
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC6435795/
https://ncbi.nlm.nih.gov/pubmed/30914702
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-019-41594-3
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