Browsing Bergen Open Research Archive by Author "Fan, Ningning"
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ALADDIN: Docking Approach Augmented by Machine Learning for Protein Structure Selection Yields Superior Virtual Screening Performance
Fan, Ningning; Bauer, Christoph; Stork, Conrad; de Bruyn Kops, Christina; Kirchmair, Johannes (Peer reviewed; Journal article, 2019-10)Protein flexibility and solvation pose major challenges to docking algorithms and scoring functions. One established strategy for addressing these challenges is to use multiple protein conformations for docking (all‐against‐all ...