ALADDIN: Docking Approach Augmented by Machine Learning for Protein Structure Selection Yields Superior Virtual Screening Performance.

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第一作者： Ningning,Fan

第一单位： Universität Hamburg, Faculty of Mathematics, Informatics and Natural Sciences, Department of Informatics, Center for Bioinformatics, 20146, Hamburg, Germany.

作者： Ningning,Fan ^[1] ; Christoph A,Bauer ^[2] ; Conrad,Stork ^[3] ; Christina,de Bruyn Kops ^[1] ; Johannes,Kirchmair ^[1]

作者单位： Universität Hamburg, Faculty of Mathematics, Informatics and Natural Sciences, Department of Informatics, Center for Bioinformatics, 20146, Hamburg, Germany. ^[1] University of Bergen, Department of Chemistry, N-5020, Bergen, Norway. ^[2] University of Bergen, Computational Biology Unit (CBU), N-5020, Bergen, Norway. ^[3]

关键词 ensemble docking machine learning similarity-based docking structure selection virtual screening

主题词算法(Algorithms);蛋白质构象(Protein Conformation);蛋白质类(Proteins)

DOI 10.1002/minf.201900103

PMID 31663691

发布时间 2021-02-08

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