Comparison of Data Fusion Methods as Consensus Scores for Ensemble Docking

Ensemble docking is a widely applied concept in structure-based virtual screening—to at least partly account for protein flexibility—usually granting a significant performance gain at a modest cost of speed. From the individual, single-structure docking scores, a consensus score...

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Bibliographic Details
Main Authors: Dávid Bajusz, Anita Rácz, Károly Héberger
Format: Article
Language:English
Published: MDPI AG 2019-07-01
Series:Molecules
Subjects:
SRD
AUC
Online Access:https://www.mdpi.com/1420-3049/24/15/2690