| 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 | 2182 | 2005 |
| 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 | 460 | 2008 |
| 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 | 389 | 2008 |
| 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 | 382 | 2006 |
| 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 | 377 | 2010 |
| 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 | 242 | 2015 |
| 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 | 234 | 2020 |
| 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 | 231 | 2009 |
| 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 | 194 | 2006 |
| Strategies for 3D pharmacophore-based virtual screening T Seidel, G Ibis, F Bendix, G Wolber Drug Discovery Today: Technologies 7 (4), e221-e228, 2010 | 165 | 2010 |
| 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 | 154 | 2009 |
| 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 | 150 | 2005 |
| 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 | 141 | 2010 |
| Pharmacophore definition and 3D searches T Langer, G Wolber Drug Discovery Today: Technologies 1 (3), 203-207, 2004 | 139 | 2004 |
| 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 | 138 | 2016 |
| 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 | 137 | 2014 |
| 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 | 128 | 2008 |
| 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 | 119 | 2012 |
| 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 | 108 | 2015 |
| The UV-filter benzophenone-1 inhibits 17β-hydroxysteroid dehydrogenase type 3: virtual screening as a strategy to identify potential endocrine disrupting chemicals LG Nashev, D Schuster, C Laggner, S Sodha, T Langer, G Wolber, ... Biochemical pharmacology 79 (8), 1189-1199, 2010 | 105 | 2010 |
Johannes KirchmairUniversity of ViennaVerified email at univie.ac.at
