Performance of HADDOCK and a simple contact-based protein–ligand binding affinity predictor in the D3R Grand Challenge 2

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Authors: Zeynep Kurkcuoglu, Panagiotis I. Koukos, Nevia Citro, Mikael E. Trellet, J. P. G. L. M. Rodrigues, Irina S. Moreira, Jorge Roel-Touris, Adrien S. J. Melquiond, Cunliang Geng, Jörg Schaarschmidt, Li C. Xue, Anna Vangone, A. M. J. J. Bonvin

Journal title: Journal of Computer-Aided Molecular Design

Journal number: 32/1

Journal publisher: Kluwer Academic Publishers

Published year: 2018

Published pages: 175-185

DOI identifier: 10.1007/s10822-017-0049-y

ISSN: 0920-654X