Matthias Rarey
Matthias Rarey
Professor, Universität Hamburg, ZBH - Zentrum für Bioinformatik
Verified email at - Homepage
Cited by
Cited by
A fast flexible docking method using an incremental construction algorithm
M Rarey, B Kramer, T Lengauer, G Klebe
Journal of molecular biology 261 (3), 470-489, 1996
Evaluation of the FLEXX incremental construction algorithm for protein–ligand docking
B Kramer, M Rarey, T Lengauer
Proteins: Structure, Function, and Bioinformatics 37 (2), 228-241, 1999
Computational methods for biomolecular docking
T Lengauer, M Rarey
Current opinion in structural biology 6 (3), 402-406, 1996
Detailed analysis of scoring functions for virtual screening
M Stahl, M Rarey
Journal of medicinal chemistry 44 (7), 1035-1042, 2001
FlexE: efficient molecular docking considering protein structure variations
H Claußen, C Buning, M Rarey, T Lengauer
Journal of molecular biology 308 (2), 377-395, 2001
DoGSiteScorer: a web server for automatic binding site prediction, analysis and druggability assessment
A Volkamer, D Kuhn, F Rippmann, M Rarey
Bioinformatics 28 (15), 2074-2075, 2012
Combining global and local measures for structure-based druggability predictions
A Volkamer, D Kuhn, T Grombacher, F Rippmann, M Rarey
Journal of chemical information and modeling 52 (2), 360-372, 2012
Molecular complexes at a glance: automated generation of two-dimensional complex diagrams
K Stierand, PC Maaß, M Rarey
Bioinformatics 22 (14), 1710-1716, 2006
Feature trees: a new molecular similarity measure based on tree matching
M Rarey, JS Dixon
Journal of computer-aided molecular design 12, 471-490, 1998
On the art of compiling and using'drug-like'chemical fragment spaces
J Degen, C Wegscheid-Gerlach, A Zaliani, M Rarey
ChemMedChem 3 (10), 1503, 2008
Drawing the PDB: protein− ligand complexes in two dimensions
K Stierand, M Rarey
ACS medicinal chemistry letters 1 (9), 540-545, 2010
Placement of medium-sized molecular fragments into active sites of proteins
M Rarey, S Wefing, T Lengauer
Journal of Computer-Aided Molecular Design 10, 41-54, 1996
The particle concept: placing discrete water molecules during protein‐ligand docking predictions
M Rarey, B Kramer, T Lengauer
Proteins: Structure, Function, and Bioinformatics 34 (1), 17-28, 1999
A consistent description of HYdrogen bond and DEhydration energies in protein–ligand complexes: methods behind the HYDE scoring function
N Schneider, G Lange, S Hindle, R Klein, M Rarey
Journal of computer-aided molecular design 27, 15-29, 2013
Multiple automatic base selection: Protein–ligand docking based on incremental construction without manual intervention
M Rarey, B Kramer, T Lengauer
Journal of computer-aided molecular design 11, 369-384, 1997
Novel technologies for virtual screening
T Lengauer, C Lemmen, M Rarey, M Zimmermann
Drug discovery today 9 (1), 27-34, 2004
X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease
S Günther, PYA Reinke, Y Fernández-García, J Lieske, TJ Lane, HM Ginn, ...
Science 372 (6542), 642-646, 2021
Flexible docking under pharmacophore type constraints
SA Hindle, M Rarey, C Buning, T Lengauer
Journal of Computer-Aided Molecular Design 16, 129-149, 2002
Small molecule docking and scoring
I Muegge, M Rarey
Reviews in computational chemistry 17, 1-60, 2001
Analyzing the topology of active sites: on the prediction of pockets and subpockets
A Volkamer, A Griewel, T Grombacher, M Rarey
Journal of Chemical Information and Modeling 50 (11), 2041-2052, 2010
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