Performance evaluation of molecular docking and free energy calculations protocols using the D3R Grand Challenge 4 dataset

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Authors: Eddy Elisée, Vytautas Gapsys, Nawel Mele, Ludovic Chaput, Edithe Selwa, Bert L. de Groot, Bogdan I. Iorga

Journal title: Journal of Computer-Aided Molecular Design

Journal number: 33/12

Journal publisher: Kluwer Academic Publishers

Published year: 2019

Published pages: 1031-1043

DOI identifier: 10.1007/s10822-019-00232-w

ISSN: 0920-654X