James B. Dunbar Jr.

14 papers Journal 14
YearRankTypeTitle / Venue / Authors
2016 J jnl
CSAR 2014: A Benchmark Exercise Using Unpublished Data from Pharma.
J. Chem. Inf. Model.
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, James B. Dunbar Jr.
2016 J jnl
CSAR Benchmark Exercise 2013: Evaluation of Results from a Combined Computational Protein Design, Docking, and Scoring/Ranking Challenge.
J. Chem. Inf. Model.
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, David Baker, Heather A. Carlson
2016 J jnl
D3R grand challenge 2015: Evaluation of protein-ligand pose and affinity predictions.
J. Comput. Aided Mol. Des.
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, Rommie E. Amaro, Victoria A. Feher, Michael K. Gilson
2015 J jnl
Recent improvements to Binding MOAD: a resource for protein-ligand binding affinities and structures.
Nucleic Acids Res.
Aqeel Ahmed, Richard D. Smith, Jordan J. Clark, James B. Dunbar Jr., Heather A. Carlson
2013 J jnl
CSAR Benchmark Exercise 2011-2012: Evaluation of Results from Docking and Relative Ranking of Blinded Congeneric Series.
J. Chem. Inf. Model.
Kelly L. Damm-Ganamet, Richard D. Smith, James B. Dunbar Jr., Jeanne A. Stuckey, Heather A. Carlson
2013 J jnl
CSAR Data Set Release 2012: Ligands, Affinities, Complexes, and Docking Decoys.
J. Chem. Inf. Model.
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
2012 J jnl
Biophysical Limits of Protein-Ligand Binding.
J. Chem. Inf. Model.
Richard D. Smith, Alaina L. Engdahl, James B. Dunbar Jr., Heather A. Carlson
2011 J jnl
A Call to Arms: What You Can Do for Computational Drug Discovery.
J. Chem. Inf. Model.
Heather A. Carlson, James B. Dunbar Jr.
2011 J jnl
CSAR Benchmark Exercise of 2010: Combined Evaluation Across All Submitted Scoring Functions.
J. Chem. Inf. Model.
Richard D. Smith, James B. Dunbar Jr., Peter Man-Un Ung, Emilio Xavier Esposito, Chao-Yie Yang, Shaomeng Wang, Heather A. Carlson
2011 J jnl
CSAR Benchmark Exercise of 2010: Selection of the Protein-Ligand Complexes.
J. Chem. Inf. Model.
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
2011 J jnl
Correction to CSAR Benchmark Exercise of 2010: Selection of the Protein-Ligand Complexes.
J. Chem. Inf. Model.
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
2003 J jnl
CLIP: Similarity Searching of 3D Databases Using Clique Detection.
J. Chem. Inf. Comput. Sci.
Nicholas Rhodes, Peter Willett, Alain Calvet, James B. Dunbar Jr., Christine Humblet
2000 J jnl
Bit-String Methods for Selective Compound Acquisition.
J. Chem. Inf. Comput. Sci.
Nicholas Rhodes, Peter Willett, James B. Dunbar Jr., Christine Humblet
1995 J jnl
Enhancing the diversity of a corporate database using chemical database clustering and analysis.
J. Comput. Aided Mol. Des.
Norah E. Shemetulskis, James B. Dunbar Jr., Bonnie W. Dunbar, David W. Moreland, Christine Humblet