Towards accurate high-throughput ligand affinity prediction by exploiting structural ensembles, docking metrics and ligand similarity

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Authors: Melanie Schneider, Jean-Luc Pons, William Bourguet, Gilles Labesse

Journal title: Bioinformatics

Journal number: 36/1

Journal publisher: Oxford University Press

Published year: 2019

Published pages: 160-168

DOI identifier: 10.1093/bioinformatics/btz538

ISSN: 1367-4803