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Gerhard Wolber
Gerhard Wolber
Professor for Pharmaceutical Chemistry
Verified email at fu-berlin.de - Homepage
Title
Cited by
Cited by
Year
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
19792005
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, 213-228, 2008
4302008
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
3722008
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
3612006
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
3592010
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
2202009
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
2132015
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
1852006
Next generation 3D pharmacophore modeling
D Schaller, D Šribar, T Noonan, L Deng, TN Nguyen, S Pach, D Machalz, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 10 (4), e1468, 2020
1652020
Strategies for 3D pharmacophore-based virtual screening
T Seidel, G Ibis, F Bendix, G Wolber
Drug Discovery Today: Technologies 7 (4), e221-e228, 2010
1472010
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
1462005
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 (03), 195-204, 2009
1452009
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
1332010
Pharmacophore definition and 3D searches
T Langer, G Wolber
Drug Discovery Today: Technologies 1 (3), 203-207, 2004
1312004
Anthocyanin composition, antioxidant efficiency, and α-amylase inhibitor activity of different Hungarian sour cherry varieties (Prunus cerasus L.)
JR Homoki, A Nemes, E Fazekas, G Gyémánt, P Balogh, F Gál, J Al-Asri, ...
Food chemistry 194, 222-229, 2016
1252016
Design, synthesis and molecular docking study of novel quinoxalin-2 (1H)-ones as anti-tumor active agents with inhibition of tyrosine kinase receptor and studying their …
SA Galal, SHM Khairat, FAF Ragab, AS Abdelsamie, MM Ali, SM Soliman, ...
European Journal of Medicinal Chemistry 86, 122-132, 2014
1242014
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
1192008
In silico virtual screening approaches for anti-viral drug discovery
MS Murgueitio, M Bermudez, J Mortier, G Wolber
Drug Discovery Today: Technologies 9 (3), e219-e225, 2012
1042012
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
1012008
Ecdysteroids: A novel class of anabolic agents?
MK Parr, F Botrè, A Naß, J Hengevoss, P Diel
Biology of sport 32 (2), 169-173, 2015
992015
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