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CSAR benchmark exercise of 2010: selection of the protein-ligand complexes.
Dunbar JB Jr, Smith RD, Yang CY, Ung PM, Lexa KW, Khazanov NA, Stuckey JA, Wang S, Carlson HA. Dunbar JB Jr, et al. Among authors: carlson ha. J Chem Inf Model. 2011 Sep 26;51(9):2036-46. doi: 10.1021/ci200082t. Epub 2011 Jul 22. J Chem Inf Model. 2011. PMID: 21728306 Free PMC article.
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: carlson ha. 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.
93 results