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GM064700

Funded outputs count: 29
Funder award ID: GM064700
OpenAlex ID: G5452128564
Focused grid‐based resampling for protein docking and mapping
2016 · Artem B. Mamonov, Mohammad Moghadasi, et al. · Journal of Computational Chemistry · 9
Conservation and Covariance in Small Bacterial Phosphoglycosyltransferases Identify the Functional Catalytic Core
2015 · Vinita Lukose, Lingqi Luo, et al. · Biochemistry · 36
Lessons from Hot Spot Analysis for Fragment-Based Drug Discovery
2015 · David R. Hall, Dima Kozakov, et al. · Trends in Pharmacological Sciences · 66
New Frontiers in Druggability
2015 · Dima Kozakov, David R. Hall, et al. · Journal of Medicinal Chemistry · 111
Ligand deconstruction: Why some fragment binding positions are conserved and others are not
2015 · Dima Kozakov, David R. Hall, et al. · Proceedings of the National Academy of Sciences · 73
The FTMap family of web servers for determining and characterizing ligand-binding hot spots of proteins
2015 · Dima Kozakov, Laurie E Grove, et al. · Nature Protocols · 651
Energy Minimization on Manifolds for Docking Flexible Molecules
2015 · Hanieh Mirzaei, Shahrooz Zarbafian, et al. · Journal of Chemical Theory and Computation · 39
How proteins bind macrocycles
2014 · Elizabeth A Villar, Dmitri Beglov, et al. · Nature Chemical Biology · 403
Stimulators of translation identified during a small molecule screening campaign
2013 · Unkyung Shin, David E. Williams, et al. · Analytical Biochemistry · 4
Detection of peptide‐binding sites on protein surfaces: The first step toward the modeling and targeting of peptide‐mediated interactions
2013 · Assaf Lavi, Chi Ho Ngan, et al. · Proteins Structure Function and Bioinformatics · 118
Comprehensive Experimental and Computational Analysis of Binding Energy Hot Spots at the NF-κB Essential Modulator/IKKβ Protein–Protein Interface
2013 · Mary S. Golden, Shaun M. Cote, et al. · Journal of the American Chemical Society · 47
Relationship between Hot Spot Residues and Ligand Binding Hot Spots in Protein–Protein Interfaces
2012 · Brandon S. Zerbe, David R. Hall, et al. · Journal of Chemical Information and Modeling · 122
Computational mapping reveals dramatic effect of Hoogsteen breathing on duplex DNA reactivity with formaldehyde
2012 · Tanggis Bohnuud, Dmitri Beglov, et al. · Nucleic Acids Research · 40
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FTMAP: extended protein mapping with user-selected probe molecules
2012 · C. H. Ngan, T. Bohnuud, et al. · Nucleic Acids Research · 154
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Hot Spot Analysis for Driving the Development of Hits into Leads in Fragment-Based Drug Discovery
2011 · David R. Hall, Chi Ho Ngan, et al. · Journal of Chemical Information and Modeling · 58
Analysis of Protein Binding Sites by Computational Solvent Mapping
2011 · David R. Hall, Dima Kozakov, et al. · Methods in molecular biology · 27
FTSite: high accuracy detection of ligand binding sites on unbound protein structures
2011 · Chi-Ho Ngan, David R. Hall, et al. · Bioinformatics · 294
Robust Identification of Binding Hot Spots Using Continuum Electrostatics: Application to Hen Egg-White Lysozyme
2011 · David H. Hall, Laurie E. Grove, et al. · Journal of the American Chemical Society · 31
Minimal ensembles of side chain conformers for modeling protein–protein interactions
2011 · Dmitri Beglov, David R. Hall, et al. · Proteins Structure Function and Bioinformatics · 27
Structural conservation of druggable hot spots in protein–protein interfaces
2011 · Dima Kozakov, David R. Hall, et al. · Proceedings of the National Academy of Sciences · 244
Domain motion and interdomain hot spots in a multidomain enzyme
2010 · Gwo‐Yu Chuang, Ritcha Mehra‐Chaudhary, et al. · Protein Science · 20
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Where does amantadine bind to the influenza virus M2 proton channel?
2010 · Dima Kozakov, Gwo-Yu Chuang, et al. · Trends in Biochemical Sciences · 43
Binding Hot Spots and Amantadine Orientation in the Influenza A Virus M2 Proton Channel
2009 · Gwo-Yu Chuang, Dima Kozakov, et al. · Biophysical Journal · 37
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Detection of ligand binding hot spots on protein surfaces via fragment-based methods: application to DJ-1 and glucocerebrosidase
2009 · Melissa R. Landon, Raquel L. Lieberman, et al. · Journal of Computer-Aided Molecular Design · 84
Fragment-based identification of druggable ‘hot spots’ of proteins using Fourier domain correlation techniques
2009 · Ryan Brenke, Dima Kozakov, et al. · Bioinformatics · 460
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