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

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

Journal of computer-aided molecular design, 2018-01, Vol.32 (1), p.175-185 [Periódico revisado por pares]

Cham: Springer International Publishing

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