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Journal Articles
- 2016
[j14]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:
D3R grand challenge 2015: Evaluation of protein-ligand pose and affinity predictions. J. Comput. Aided Mol. Des. 30(9): 651-668 (2016)- [j13]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:
CSAR Benchmark Exercise 2013: Evaluation of Results from a Combined Computational Protein Design, Docking, and Scoring/Ranking Challenge. J. Chem. Inf. Model. 56(6): 1022-1031 (2016) - [j12]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.:
CSAR 2014: A Benchmark Exercise Using Unpublished Data from Pharma. J. Chem. Inf. Model. 56(6): 1063-1077 (2016) - 2015
- [j11]Aqeel Ahmed, Richard D. Smith, Jordan J. Clark, James B. Dunbar Jr., Heather A. Carlson:
Recent improvements to Binding MOAD: a resource for protein-ligand binding affinities and structures. Nucleic Acids Res. 43(Database-Issue): 465-469 (2015) - 2013
- [j10]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:
CSAR Data Set Release 2012: Ligands, Affinities, Complexes, and Docking Decoys. J. Chem. Inf. Model. 53(8): 1842-1852 (2013) - [j9]Kelly L. Damm-Ganamet, Richard D. Smith, James B. Dunbar Jr., Jeanne A. Stuckey, Heather A. Carlson:
CSAR Benchmark Exercise 2011-2012: Evaluation of Results from Docking and Relative Ranking of Blinded Congeneric Series. J. Chem. Inf. Model. 53(8): 1853-1870 (2013) - 2012
- [j8]Richard D. Smith, Alaina L. Engdahl, James B. Dunbar Jr., Heather A. Carlson:
Biophysical Limits of Protein-Ligand Binding. J. Chem. Inf. Model. 52(8): 2098-2106 (2012) - 2011
- [j7]Heather A. Carlson, James B. Dunbar Jr.:
A Call to Arms: What You Can Do for Computational Drug Discovery. J. Chem. Inf. Model. 51(9): 2025-2026 (2011) - [j6]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:
CSAR Benchmark Exercise of 2010: Selection of the Protein-Ligand Complexes. J. Chem. Inf. Model. 51(9): 2036-2046 (2011) - [j5]Richard D. Smith, James B. Dunbar Jr., Peter Man-Un Ung, Emilio Xavier Esposito, Chao-Yie Yang, Shaomeng Wang, Heather A. Carlson:
CSAR Benchmark Exercise of 2010: Combined Evaluation Across All Submitted Scoring Functions. J. Chem. Inf. Model. 51(9): 2115-2131 (2011) - [j4]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:
Correction to CSAR Benchmark Exercise of 2010: Selection of the Protein-Ligand Complexes. J. Chem. Inf. Model. 51(9): 2146 (2011) - 2003
- [j3]Nicholas Rhodes, Peter Willett, Alain Calvet, James B. Dunbar Jr., Christine Humblet:
CLIP: Similarity Searching of 3D Databases Using Clique Detection. J. Chem. Inf. Comput. Sci. 43(2): 443-448 (2003) - 2000
- [j2]Nicholas Rhodes, Peter Willett, James B. Dunbar Jr., Christine Humblet:
Bit-String Methods for Selective Compound Acquisition. J. Chem. Inf. Comput. Sci. 40(2): 210-214 (2000) - 1995
- [j1]Norah E. Shemetulskis, James B. Dunbar Jr., Bonnie W. Dunbar, David W. Moreland, Christine Humblet:
Enhancing the diversity of a corporate database using chemical database clustering and analysis. J. Comput. Aided Mol. Des. 9(5): 407-416 (1995)
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