Enhancing the diversity of a corporate database using chemical database clustering and analysis. - Norah E. Shemetulskis; James B. Dunbar Jr.; Bonnie W. Dunbar; David W. Moreland; Christine Humblet (J. Comput. Aided Mol. Des., 1995)

Bit-String Methods for Selective Compound Acquisition. - Nicholas Rhodes; Peter Willett 002; James B. Dunbar Jr.; Christine Humblet (J. Chem. Inf. Comput. Sci., 2000)

CLIP: Similarity Searching of 3D Databases Using Clique Detection. - Nicholas Rhodes; Peter Willett 002; Alain Calvet; James B. Dunbar Jr.; Christine Humblet (J. Chem. Inf. Comput. Sci., 2003)

A Call to Arms: What You Can Do for Computational Drug Discovery. - Heather A. Carlson; James B. Dunbar Jr. (J. Chem. Inf. Model., 2011)

CSAR Benchmark Exercise of 2010: Selection of the Protein-Ligand Complexes. - James B. Dunbar Jr.; Richard D. Smith; Chao-Yie Yang; Peter Man-Un Ung; Katrina W. Lexa; Nickolay A. Khazanov; Jeanne A. Stuckey; Shaomeng Wang; Heather A. Carlson (J. Chem. Inf. Model., 2011)

Correction to CSAR Benchmark Exercise of 2010: Selection of the Protein-Ligand Complexes. - James B. Dunbar Jr.; Richard D. Smith; Chao-Yie Yang; Peter Man-Un Ung; Katrina W. Lexa; Nickolay A. Khazanov; Jeanne A. Stuckey; Shaomeng Wang; Heather A. Carlson (J. Chem. Inf. Model., 2011)

CSAR Benchmark Exercise of 2010: Combined Evaluation Across All Submitted Scoring Functions. - Richard D. Smith; James B. Dunbar Jr.; Peter Man-Un Ung; Emilio Xavier Esposito; Chao-Yie Yang; Shaomeng Wang; Heather A. Carlson (J. Chem. Inf. Model., 2011)

Biophysical Limits of Protein-Ligand Binding. - Richard D. Smith; Alaina L. Engdahl; James B. Dunbar Jr.; Heather A. Carlson (J. Chem. Inf. Model., 2012)

CSAR Benchmark Exercise 2011-2012: Evaluation of Results from Docking and Relative Ranking of Blinded Congeneric Series. - Kelly L. Damm-Ganamet; Richard D. Smith; James B. Dunbar Jr.; Jeanne A. Stuckey; Heather A. Carlson (J. Chem. Inf. Model., 2013)

CSAR Data Set Release 2012: Ligands, Affinities, Complexes, and Docking Decoys. - James B. Dunbar Jr.; Richard D. Smith; Kelly L. Damm-Ganamet; Aqeel Ahmed; Emilio Xavier Esposito; James Delproposto; Krishnapriya Chinnaswamy; You-Na Kang; Ginger Kubish; Jason E. Gestwicki; Jeanne A. Stuckey; Heather A. Carlson (J. Chem. Inf. Model., 2013)

Recent improvements to Binding MOAD: a resource for protein-ligand binding affinities and structures. - Aqeel Ahmed; Richard D. Smith; Jordan J. Clark; James B. Dunbar Jr.; Heather A. Carlson (Nucleic Acids Res., 2015)

D3R grand challenge 2015: Evaluation of protein-ligand pose and affinity predictions. - Symon Gathiaka; Shuai Liu; Michael Chiu; Huanwang Yang; Jeanne A. Stuckey; You-Na Kang; Jim Delproposto; Ginger Kubish; James B. Dunbar Jr.; Heather A. Carlson; Stephen K. Burley; W. Patrick Walters; et al. (J. Comput. Aided Mol. Des., 2016)

CSAR 2014: A Benchmark Exercise Using Unpublished Data from Pharma. - Heather A. Carlson; Richard D. Smith; Kelly L. Damm-Ganamet; Jeanne A. Stuckey; Aqeel Ahmed; Maire A. Convery; Donald O. Somers; Michael Kranz; Patricia A. Elkins; Guanglei Cui; Catherine E. Peishoff; Millard H. Lambert; et al. (J. Chem. Inf. Model., 2016)

CSAR Benchmark Exercise 2013: Evaluation of Results from a Combined Computational Protein Design, Docking, and Scoring/Ranking Challenge. - Richard D. Smith; Kelly L. Damm-Ganamet; James B. Dunbar Jr.; Aqeel Ahmed; Krishnapriya Chinnaswamy; James Delproposto; Ginger Kubish; Christine E. Tinberg; Sagar D. Khare; Jiayi Dou; Lindsey Doyle; Jeanne A. Stuckey; et al. (J. Chem. Inf. Model., 2016)