James B. Dunbar - Publications, H-index & Citations

James B. Dunbar

university of oxford

35H指数

85论文数

5.0K被引数

收录论文 24

发表时间

New insights on the modeling of the molecular mechanisms underlying neural maps alignment in the midbrain

ELIFE

IF0

2020-09-30

OAAI

Savier, Elise Laura; Dunbar, James; Cheung, Kyle; Reber, Michael

Variable Regions of Antibodies and T-Cell Receptors May Not Be Sufficient in Molecular Simulations Investigating Binding

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2017-06-28

OAAI

Knapp, Bernhard; Dunbar, James; Alcala, Marta; Deane, Charlotte M.

D3R grand challenge 2015: Evaluation of protein-ligand pose and affinity predictions

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

IF3.1

2016-09-30

174

OAAI

Gathiaka, Symon; Liu, Shuai; Chiu, Michael; Yang, Huanwang; Stuckey, Jeanne A.; Kang, You Na; Delproposto, Jim; Kubish, Ginger; Dunbar, James B., Jr.; Carlson, Heather A.; Burley, Stephen K.; Walters, W. Patrick; Amaro, Rommie E.; Feher, Victoria A.; Gilson, Michael K.

ABodyBuilder: Automated antibody structure prediction with data-driven accuracy estimation

MABS

IF7.3

2016-08-30

180

OAAI

Leem, Jinwoo; Dunbar, James; Georges, Guy; Shi, Jiye; Deane, Charlotte M.

CSAR 2014: A Benchmark Exercise Using Unpublished Data from Pharma

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2016-05-17

OAAI

Carlson, Heather A.; Smith, Richard D.; Damm-Ganamet, Kelly L.; Stuckey, Jeanne A.; Ahmed, Aqeel; Convery, Maire A.; Somers, Donald O.; Kranz, Michael; Elkins, Patricia A.; Cui, Guanglei; Peishoff, Catherine E.; Lambert, Millard H.; Dunbar, James B., Jr.

SAbPred: a structure-based antibody prediction server

NUCLEIC ACIDS RESEARCH

IF13.1

2016-04-29

143

OAAI

Dunbar, James; Krawczyk, Konrad; Leem, Jinwoo; Marks, Claire; Nowak, Jaroslaw; Regep, Cristian; Georges, Guy; Kelm, Sebastian; Popovic, Bojana; Deane, Charlotte M.

CSAR Benchmark Exercise 2013: Evaluation of Results from a Combined Computational Protein Design, Docking, and Scoring/Ranking Challenge

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2015-10-09

OAAI

Smith, Richard D.; Damm-Ganamet, Kelly L.; Dunbar, James B., Jr.; Ahmed, Aqeel; Chinnaswamy, Krishnapriya; Delproposto, James E.; Kubish, Ginger M.; Tinberg, Christine E.; Khare, Sagar D.; Dou, Jiayi; Doyle, Lindsey; Stuckey, Jeanne A.; Baker, David; Carlson, Heather A.

Prediction of VH-VL domain orientation for antibody variable domain modeling 用于抗体可变结构域建模的vh-vl结构域方向预测

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

IF2.8

2015-02-05

PREAI

Bujotzek, Alexander; Dunbar, James; Lipsmeier, Florian; Schaefer, Wolfgang; Antes, Iris; Deane, Charlotte M.; Georges, Guy

Recent improvements to Binding MOAD: a resource for protein-ligand binding affinities and structures

NUCLEIC ACIDS RESEARCH

IF13.1

2014-11-06

OAAI

Ahmed, Aqeel; Smith, Richard D.; Clark, Jordan J.; Dunbar, James B., Jr.; Carlson, Heather A.

An Allosteric Modulator of HIV-1 Protease Shows Equipotent Inhibition of Wild-Type and Drug-Resistant Proteases

JOURNAL OF MEDICINAL CHEMISTRY

IF6.8

2014-08-01

OAAI

Ung, Peter M. -U.; Dunbar, James B., Jr.; Gestwicki, Jason E.; Carlson, Heather A.

SAbDab: the structural antibody database SAbDab: 结构抗体数据库

NUCLEIC ACIDS RESEARCH

IF13.1

2013-11-08

323

OAAI

Dunbar, James; Krawczyk, Konrad; Leem, Jinwoo; Baker, Terry; Fuchs, Angelika; Georges, Guy; Shi, Jiye; Deane, Charlotte M.

CSAR Data Set Release 2012: Ligands, Affinities, Complexes, and Docking Decoys

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2013-05-10

OAAI

Dunbar, James B., Jr.; Smith, Richard D.; Damm-Ganamet, Kelly L.; Ahmed, Aqeel; Esposito, Emilio Xavier; Delproposto, James; Chinnaswamy, Krishnapriya; Kang, You-Na; Kubish, Ginger; Gestwicki, Jason E.; Stuckey, Jeanne A.; Carlson, Heather A.

CSAR Benchmark Exercise 2011-2012: Evaluation of Results from Docking and Relative Ranking of Blinded Congeneric Series

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2013-05-10

124

OAAI

Damm-Ganamet, Kelly L.; Smith, Richard D.; Dunbar, James B., Jr.; Stuckey, Jeanne A.; Carlson, Heather A.

Biophysical Limits of Protein-Ligand Binding 蛋白质-配体结合的生物物理极限

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2012-07-18

OAAI

Smith, Richard D.; Engdahl, Alaina L.; Dunbar, James B., Jr.; Carlson, Heather A.

A Call to Arms: What You Can Do for Computational Drug Discovery

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2011-09-26

PREAI

Carlson, Heather A.; Dunbar, James B., Jr.

CSAR Benchmark Exercise of 2010: Combined Evaluation Across All Submitted Scoring Functions

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2011-08-29

120

OAAI

Smith, Richard D.; Dunbar, James B., Jr.; Ung, Peter Man-Un; Esposito, Emilio X.; Yang, Chao-Yie; Wang, Shaomeng; Carlson, Heather A.

CSAR Benchmark Exercise of 2010: Selection of the Protein-Ligand Complexes (vol 51, pg 2036, 2011)

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2011-08-19

OAAI

Dunbar, James B., Jr.; Smith, Richard D.; Yang, Chao-Yie; Ung, Peter Man-Un; Lexa, Katrina W.; Khazanov, Nickolay A.; Stuckey, Jeanne A.; Wang, Shaomeng; Carlson, Heather A.

CSAR Benchmark Exercise of 2010: Selection of the Protein-Ligand Complexes

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2011-07-22

141

OAAI

Dunbar, James B., Jr.; Smith, Richard D.; Yang, Chao-Yie; Ung, Peter Man-Un; Lexa, Katrina W.; Khazanov, Nickolay A.; Stuckey, Jeanne A.; Wang, Shaomeng; Carlson, Heather A.

Differences between High- and Low-Affinity Complexes of Enzymes and Nonenzymes

JOURNAL OF MEDICINAL CHEMISTRY

IF6.8

2008-10-01

OAAI

Carlson, Heather A.; Smith, Richard D.; Khazanov, Nickolay A.; Kirchhoff, Paul D.; Dunbar, Jarnes B., Jr.; Benson, Mark L.

Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase

JOURNAL OF MEDICINAL CHEMISTRY

IF6.8

2008-07-01

PREAI

Sarver, Ronald W.; Bills, Elizabeth; Bolton, Gary; Bratton, Larry D.; Caspers, Nicole L.; Dunbar, James B.; Harris, Melissa S.; Hutchings, Richard H.; Kennedy, Robert M.; Larsen, Scott D.; Pavlovsky, Alexander; Pfefferkorn, Jeffrey A.; Bainbridge, Graeme

研究方向