James B. Dunbar Jr. - researchr alias

researchr

You are not signed in
Sign in
Sign up

Viewing Publication 1 - 14 from 14

2016

CSAR 2014: A Benchmark Exercise Using Unpublished Data from PharmaHeather A. Carlson, Richard D. Smith, Kelly L. Damm-Ganamet, Jeanne A. Stuckey, Aqeel Ahmed, Maire A. Convery, Donald O. Somers, Michael Kranz,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.. jcisd, 56(6):1063-1077, 2016. [doi]

D3R grand challenge 2015: Evaluation of protein-ligand pose and affinity predictionsSymon 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. jcamd, 30(9):651-668, 2016. [doi]

CSAR Benchmark Exercise 2013: Evaluation of Results from a Combined Computational Protein Design, Docking, and Scoring/Ranking ChallengeRichard 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. jcisd, 56(6):1022-1031, 2016. [doi]

2015

Recent improvements to Binding MOAD: a resource for protein-ligand binding affinities and structuresAqeel Ahmed, Richard D. Smith, Jordan J. Clark, James B. Dunbar Jr., Heather A. Carlson. nar, 43(Database-Issue):465-469, 2015. [doi]

2013

2012

Biophysical Limits of Protein-Ligand BindingRichard D. Smith, Alaina L. Engdahl, James B. Dunbar Jr., Heather A. Carlson. jcisd, 52(8):2098-2106, 2012. [doi]

2011

A Call to Arms: What You Can Do for Computational Drug DiscoveryHeather A. Carlson, James B. Dunbar Jr.. jcisd, 51(9):2025-2026, 2011. [doi]

Correction to CSAR Benchmark Exercise of 2010: Selection of the Protein-Ligand ComplexesJames 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. jcisd, 51(9):2146, 2011. [doi]

CSAR Benchmark Exercise of 2010: Selection of the Protein-Ligand ComplexesJames 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. jcisd, 51(9):2036-2046, 2011. [doi]

CSAR Benchmark Exercise of 2010: Combined Evaluation Across All Submitted Scoring FunctionsRichard D. Smith, James B. Dunbar Jr., Peter Man-Un Ung, Emilio Xavier Esposito, Chao-yie Yang, Shaomeng Wang, Heather A. Carlson. jcisd, 51(9):2115-2131, 2011. [doi]

2003

CLIP: Similarity Searching of 3D Databases Using Clique DetectionNicholas Rhodes, Peter Willett 0002, Alain Calvet, James B. Dunbar Jr., Christine Humblet. jcisd, 43(2):443-448, 2003. [doi]

2000

Bit-String Methods for Selective Compound AcquisitionNicholas Rhodes, Peter Willett 0002, James B. Dunbar Jr., Christine Humblet. jcisd, 40(2):210-214, 2000. [doi]

1995

Enhancing the diversity of a corporate database using chemical database clustering and analysisNorah E. Shemetulskis, James B. Dunbar Jr., Bonnie W. Dunbar, David W. Moreland, Christine Humblet. jcamd, 9(5):407-416, 1995.

Sign in or sign up to see more results.

runs on WebDSL