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David R. Hall
David R. Hall
Acpharis
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Zitiert von
Zitiert von
Jahr
The ClusPro web server for protein-protein docking
D Kozakov, DR Hall, B Xia, KA Porter, D Padhorny, C Yueh, D Beglov, ...
Nature Protocols 12 (2), 255-278, 2017
23252017
How good is automated protein docking?
D Kozakov, D Beglov, T Bohnuud, SE Mottarella, B Xia, DR Hall, S Vajda
Proteins: Structure, Function, and Bioinformatics 81 (12), 2159-2166, 2013
7412013
The FTMap family of web servers for determining and characterizing ligand-binding hot spots of proteins
D Kozakov, LE Grove, DR Hall, T Bohnuud, SE Mottarella, L Luo, B Xia, ...
Nature protocols 10 (5), 733-755, 2015
5712015
Fragment-based identification of druggable ‘hot spots’ of proteins using Fourier domain correlation techniques
R Brenke, D Kozakov, GY Chuang, D Beglov, D Hall, MR Landon, ...
Bioinformatics 25 (5), 621-627, 2009
5012009
New additions to the ClusPro server motivated by CAPRI
S Vajda, C Yueh, D Beglov, T Bohnuud, SE Mottarella, B Xia, DR Hall, ...
Proteins: Structure, Function, and Bioinformatics, 2017
4642017
Achieving reliability and high accuracy in automated protein docking: ClusPro, PIPER, SDU, and stability analysis in CAPRI rounds 13–19
D Kozakov, DR Hall, D Beglov, R Brenke, SR Comeau, Y Shen, K Li, ...
Proteins: Structure, Function, and Bioinformatics 78 (15), 3124-3130, 2010
2902010
Structural conservation of druggable hot spots in protein–protein interfaces
D Kozakov, DR Hall, GY Chuang, R Cencic, R Brenke, LE Grove, ...
Proceedings of the National Academy of Sciences 108 (33), 13528-13533, 2011
2712011
FTSite: high accuracy detection of ligand binding sites on unbound protein structures
CH Ngan, DR Hall, B Zerbe, LE Grove, D Kozakov, S Vajda
Bioinformatics 28 (2), 286-287, 2012
2502012
Quantifying the chameleonic properties of macrocycles and other high-molecular-weight drugs
A Whitty, M Zhong, L Viarengo, D Beglov, DR Hall, S Vajda
Drug discovery today 21 (5), 712-717, 2016
2222016
Reversing chemoresistance by small molecule inhibition of the translation initiation complex eIF4F
R Cencic, DR Hall, F Robert, Y Du, J Min, L Li, M Qui, I Lewis, S Kurtkaya, ...
Proceedings of the National Academy of Sciences 108 (3), 1046-1051, 2011
2092011
Application of asymmetric statistical potentials to antibody–protein docking
R Brenke, DR Hall, GY Chuang, SR Comeau, T Bohnuud, D Beglov, ...
Bioinformatics 28 (20), 2608-2614, 2012
1962012
Prediction of homoprotein and heteroprotein complexes by protein docking and template‐based modeling: A CASP‐CAPRI experiment
MF Lensink, S Velankar, A Kryshtafovych, SY Huang, ...
Proteins: Structure, Function, and Bioinformatics 84 (S1), 323-348, 2016
1642016
FTMAP: extended protein mapping with user-selected probe molecules
CH Ngan, T Bohnuud, SE Mottarella, D Beglov, EA Villar, DR Hall, ...
Nucleic acids research 40 (W1), W271-W275, 2012
1642012
Relationship between Hot Spot Residues and Ligand Binding Hot Spots in Protein-Protein Interfaces
B Zerbe, DR Hall, S Vajda, A Whitty, D Kozakov
Journal of Chemical Information and Modeling, 2012
1292012
Blocking eIF4E-eIF4G interaction as a strategy to impair coronavirus replication
R Cencic, M Desforges, DR Hall, D Kozakov, Y Du, J Min, R Dingledine, ...
Journal of virology 85 (13), 6381-6389, 2011
1272011
Community‐wide evaluation of methods for predicting the effect of mutations on protein–protein interactions
R Moretti, SJ Fleishman, R Agius, M Torchala, PA Bates, PL Kastritis, ...
Proteins: Structure, Function, and Bioinformatics 81 (11), 1980-1987, 2013
1112013
New frontiers in druggability
D Kozakov, DR Hall, RL Napoleon, C Yueh, A Whitty, S Vajda
Journal of medicinal chemistry 58 (23), 9063-9088, 2015
1052015
Exploring the structural origins of cryptic sites on proteins
D Beglov, DR Hall, AE Wakefield, L Luo, KN Allen, D Kozakov, A Whitty, ...
Proceedings of the National Academy of Sciences 115 (15), E3416-E3425, 2018
1042018
Ligand deconstruction: Why some fragment binding positions are conserved and others are not
D Kozakov, DR Hall, S Jehle, L Luo, SO Ochiana, EV Jones, M Pollastri, ...
Proceedings of the National Academy of Sciences 112 (20), E2585-E2594, 2015
802015
Encounter complexes and dimensionality reduction in protein–protein association
D Kozakov, K Li, DR Hall, D Beglov, J Zheng, P Vakili, ...
eLife 3, e01370, 2014
752014
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