Gerhard Wolber
Gerhard Wolber
Professor for Medicinal Chemistry
E-mail megerősítve itt: fu-berlin.de - Kezdőlap
Cím
Hivatkozott rá
Hivatkozott rá
Év
LigandScout: 3-D pharmacophores derived from protein-bound ligands and their use as virtual screening filters
G Wolber, T Langer
Journal of chemical information and modeling 45 (1), 160-169, 2005
13452005
Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection—What can we learn from earlier mistakes?
J Kirchmair, P Markt, S Distinto, G Wolber, T Langer
Journal of computer-aided molecular design 22 (3-4), 213-228, 2008
3122008
Molecule-pharmacophore superpositioning and pattern matching in computational drug design
G Wolber, T Seidel, F Bendix, T Langer
Drug discovery today 13 (1-2), 23-29, 2008
2982008
Efficient overlay of small organic molecules using 3D pharmacophores
G Wolber, AA Dornhofer, T Langer
Journal of computer-aided molecular design 20 (12), 773-788, 2006
2772006
Benzimidazol-2-ylidene gold (I) complexes are thioredoxin reductase inhibitors with multiple antitumor properties
R Rubbiani, I Kitanovic, H Alborzinia, S Can, A Kitanovic, LA Onambele, ...
Journal of medicinal chemistry 53 (24), 8608-8618, 2010
2522010
How to optimize shape-based virtual screening: choosing the right query and including chemical information
J Kirchmair, S Distinto, P Markt, D Schuster, GM Spitzer, KR Liedl, ...
Journal of chemical information and modeling 49 (3), 678-692, 2009
1872009
Comparative performance assessment of the conformational model generators omega and catalyst: a large-scale survey on the retrieval of protein-bound ligand conformations
J Kirchmair, G Wolber, C Laggner, T Langer
Journal of chemical information and modeling 46 (4), 1848-1861, 2006
1682006
The impact of molecular dynamics on drug design: applications for the characterization of ligand–macromolecule complexes
J Mortier, C Rakers, M Bermudez, MS Murgueitio, S Riniker, G Wolber
Drug Discovery Today 20 (6), 686-702, 2015
1292015
Comparative analysis of protein-bound ligand conformations with respect to catalyst's conformational space subsampling algorithms
J Kirchmair, C Laggner, G Wolber, T Langer
Journal of chemical information and modeling 45 (2), 422-430, 2005
1252005
In silico target fishing for rationalized ligand discovery exemplified on constituents of Ruta graveolens
JM Rollinger, D Schuster, B Danzl, S Schwaiger, P Markt, M Schmidtke, ...
Planta medica 75 (3), 195, 2009
1212009
Antiviral Potential and Molecular Insight into Neuraminidase Inhibiting Diarylheptanoids from Alpinia katsumadai
U Grienke, M Schmidtke, J Kirchmair, K Pfarr, P Wutzler, R Dürrwald, ...
Journal of medicinal chemistry 53 (2), 778-786, 2010
1072010
The Protein Data Bank (PDB), its related services and software tools as key components for in silico guided drug discovery
J Kirchmair, P Markt, S Distinto, D Schuster, GM Spitzer, KR Liedl, ...
Journal of medicinal chemistry 51 (22), 7021-7040, 2008
992008
Enhancing drug discovery through in silico screening: strategies to increase true positives retrieval rates
J Kirchmair, S Distinto, D Schuster, G Spitzer, T Langer, G Wolber
Current medicinal chemistry 15 (20), 2040-2053, 2008
942008
Pharmacophore definition and 3D searches
T Langer, G Wolber
Drug Discovery Today: Technologies 1 (3), 203-207, 2004
922004
Strategies for 3D pharmacophore-based virtual screening
T Seidel, G Ibis, F Bendix, G Wolber
Drug Discovery Today: Technologies 7 (4), e221-e228, 2010
822010
Fast and efficient in silico 3D screening: toward maximum computational efficiency of pharmacophore-based and shape-based approaches
J Kirchmair, S Ristic, K Eder, P Markt, G Wolber, C Laggner, T Langer
Journal of chemical information and modeling 47 (6), 2182-2196, 2007
812007
Discovery of novel PPAR ligands by a virtual screening approach based on pharmacophore modeling, 3D shape, and electrostatic similarity screening
P Markt, RK Petersen, EN Flindt, K Kristiansen, J Kirchmair, G Spitzer, ...
Journal of medicinal chemistry 51 (20), 6303-6317, 2008
782008
Novel pharmacological chaperones that correct phenylketonuria in mice
S Santos-Sierra, J Kirchmair, AM Perna, D Reiß, K Kemter, W Röschinger, ...
Human molecular genetics 21 (8), 1877-1887, 2012
742012
Identification of HIV-1 reverse transcriptase dual inhibitors by a combined shape-, 2D-fingerprint-and pharmacophore-based virtual screening approach
S Distinto, F Esposito, J Kirchmair, MC Cardia, M Gaspari, E Maccioni, ...
European journal of medicinal chemistry 50, 216-229, 2012
712012
Computer-aided discovery, validation, and mechanistic characterization of novel neolignan activators of peroxisome proliferator-activated receptor γ
N Fakhrudin, A Ladurner, AG Atanasov, EH Heiss, L Baumgartner, ...
Molecular pharmacology 77 (4), 559-566, 2010
692010
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