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Large-scale prediction of binding affinity in protein-small ligand complexes: the PRODIGY-LIG web server.
Bioinformatics. 2019 May 1;35(9):1585-1587. doi: 10.1093/bioinformatics/bty816.
Bioinformatics. 2019.
PMID: 31051038
Performance of HADDOCK and a simple contact-based protein-ligand binding affinity predictor in the D3R Grand Challenge 2.
Kurkcuoglu Z, Koukos PI, Citro N, Trellet ME, Rodrigues JPGLM, Moreira IS, Roel-Touris J, Melquiond ASJ, Geng C, Schaarschmidt J, Xue LC, Vangone A, Bonvin AMJJ.
Kurkcuoglu Z, et al. Among authors: citro n.
J Comput Aided Mol Des. 2018 Jan;32(1):175-185. doi: 10.1007/s10822-017-0049-y. Epub 2017 Aug 22.
J Comput Aided Mol Des. 2018.
PMID: 28831657
Free PMC article.
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