Ryan G. Coleman
Ryan G. Coleman
Verifierad e-postadress på sandia.gov - Startsida
TitelCiteras avÅr
ZINC: A Free Tool to Discover Chemistry for Biology
JJ Irwin, T Sterling, MM Mysinger, ES Bolstad, RG Coleman
Journal of Chemical Information and Modeling 52 (7), 1757-1768, 2012
15212012
Structure-based maximal affinity model predicts small-molecule druggability
AC Cheng, RG Coleman, KT Smyth, Q Cao, P Soulard, DR Caffrey, ...
Nature biotechnology 25 (1), 71-75, 2007
5162007
Status of GPCR modeling and docking as reflected by community-wide GPCR Dock 2010 assessment
I Kufareva, M Rueda, V Katritch, G Dock, RC Stevens, R Abagyan
Structure 19 (8), 1108-1126, 2011
2822011
Ligand discovery from a dopamine D3 receptor homology model and crystal structure
J Carlsson, RG Coleman, V Setola, JJ Irwin, H Fan, A Schlessinger, A Sali, ...
Nature Chemical Biology 7 (11), 769-778, 2011
2802011
Quasm: A system for question answering using semi-structured data
D Pinto, M Branstein, R Coleman, WB Croft, M King, W Li, X Wei
Proceedings of the 2nd ACM/IEEE-CS joint conference on Digital libraries, 46-55, 2002
1182002
Travel depth, a new shape descriptor for macromolecules: application to ligand binding
RG Coleman, KA Sharp
Journal of molecular biology 362 (3), 441-458, 2006
952006
Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery
M Fischer, RG Coleman, JS Fraser, BK Shoichet
Nature chemistry 6 (7), 575-583, 2014
822014
Protein pockets: inventory, shape, and comparison
RG Coleman, KA Sharp
Journal of chemical information and modeling 50 (4), 589-603, 2010
592010
Finding and characterizing tunnels in macromolecules with application to ion channels and pores
RG Coleman, KA Sharp
Biophysical journal 96 (2), 632-645, 2009
532009
Ligand Pose and Orientational Sampling in Molecular Docking
RG Coleman, M Carchia, T Sterling, JJ Irwin, BK Shoichet
PloS one 8 (10), e75992, 2013
522013
An intuitive approach to measuring protein surface curvature
RG Coleman, MA Burr, DL Souvaine, AC Cheng
Proteins: Structure, Function, and Bioinformatics 61 (4), 1068-1074, 2005
392005
Structure-based identification of small molecule binding sites using a free energy model
RG Coleman, AC Salzberg, AC Cheng
Journal of chemical information and modeling 46 (6), 2631-2637, 2006
382006
Protonation of excited state pyrene-1-carboxylate by phosphate and organic acids in aqueous solution studied by fluorescence spectroscopy
B Zelent, JM Vanderkooi, RG Coleman, I Gryczynski, Z Gryczynski
Biophysical journal 91 (10), 3864-3871, 2006
322006
SAMPL4 & DOCK3. 7: lessons for automated docking procedures
RG Coleman, T Sterling, DR Weiss
Journal of computer-aided molecular design 28 (3), 201-209, 2014
182014
Shape and evolution of thermostable protein structure
RG Coleman, KA Sharp
Proteins: Structure, Function, and Bioinformatics 78 (2), 420-433, 2010
162010
Chemical informatics uncovers a new role for moexipril as a novel inhibitor of cAMP phosphodiesterase-4 (PDE4)
RT Cameron, RG Coleman, JP Day, KC Yalla, MD Houslay, DR Adams, ...
Biochemical pharmacology 85 (9), 1297-1305, 2013
142013
Transformations and algorithms for least sum of squares hypersphere fitting.
M Burr, A Cheng, R Coleman, DL Souvaine
CCCG, 104-107, 2004
52004
Domain Decomposition Solver Status and Future Plans.
RG Coleman, CR Dohrmann
Sandia National Lab.(SNL-NM), Albuquerque, NM (United States), 2017
12017
DOCK 3.5. 54: Advances in the last 6 years, and benchmarking results
JJ Irwin, BK Shoichet, MM Mysinger, RG Coleman, M Carchia, KT Nguyen
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 241, 2011
12011
Thermophilic protein structure adaptation examined with Burial Depth and Travel Depth
RG Coleman, KA Sharp
Biophysical Journal 96, 584, 2009
12009
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Artiklar 1–20