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CSAR data set release 2012: ligands, affinities, complexes, and docking decoys.
Dunbar JB Jr, Smith RD, Damm-Ganamet KL, Ahmed A, Esposito EX, Delproposto J, Chinnaswamy K, Kang YN, Kubish G, Gestwicki JE, Stuckey JA, Carlson HA. Dunbar JB Jr, et al. Among authors: kubish g. J Chem Inf Model. 2013 Aug 26;53(8):1842-52. doi: 10.1021/ci4000486. Epub 2013 May 10. J Chem Inf Model. 2013. PMID: 23617227 Free PMC article.
CSAR Benchmark Exercise 2013: Evaluation of Results from a Combined Computational Protein Design, Docking, and Scoring/Ranking Challenge.
Smith RD, Damm-Ganamet KL, Dunbar JB Jr, Ahmed A, Chinnaswamy K, Delproposto JE, Kubish GM, Tinberg CE, Khare SD, Dou J, Doyle L, Stuckey JA, Baker D, Carlson HA. Smith RD, et al. Among authors: kubish gm. J Chem Inf Model. 2016 Jun 27;56(6):1022-31. doi: 10.1021/acs.jcim.5b00387. Epub 2015 Oct 9. J Chem Inf Model. 2016. PMID: 26419257 Free PMC article.
D3R grand challenge 2015: Evaluation of protein-ligand pose and affinity predictions.
Gathiaka S, Liu S, Chiu M, Yang H, Stuckey JA, Kang YN, Delproposto J, Kubish G, Dunbar JB Jr, Carlson HA, Burley SK, Walters WP, Amaro RE, Feher VA, Gilson MK. Gathiaka S, et al. Among authors: kubish g. J Comput Aided Mol Des. 2016 Sep;30(9):651-668. doi: 10.1007/s10822-016-9946-8. Epub 2016 Sep 30. J Comput Aided Mol Des. 2016. PMID: 27696240 Free PMC article.