Wolber G - Search Results

1

How to optimize shape-based virtual screening: choosing the right query and including chemical information.

Kirchmair J, Distinto S, Markt P, Schuster D, Spitzer GM, Liedl KR, Wolber G. Kirchmair J, et al. Among authors: wolber g. J Chem Inf Model. 2009 Mar;49(3):678-92. doi: 10.1021/ci8004226. J Chem Inf Model. 2009. PMID: 19434901

2

LigandScout: 3-D pharmacophores derived from protein-bound ligands and their use as virtual screening filters.

Wolber G, Langer T. Wolber G, et al. J Chem Inf Model. 2005 Jan-Feb;45(1):160-9. doi: 10.1021/ci049885e. J Chem Inf Model. 2005. PMID: 15667141

3

Comparative analysis of protein-bound ligand conformations with respect to catalyst's conformational space subsampling algorithms.

Kirchmair J, Laggner C, Wolber G, Langer T. Kirchmair J, et al. Among authors: wolber g. J Chem Inf Model. 2005 Mar-Apr;45(2):422-30. doi: 10.1021/ci049753l. J Chem Inf Model. 2005. PMID: 15807508

4

Comparative performance assessment of the conformational model generators omega and catalyst: a large-scale survey on the retrieval of protein-bound ligand conformations.

Kirchmair J, Wolber G, Laggner C, Langer T. Kirchmair J, et al. Among authors: wolber g. J Chem Inf Model. 2006 Jul-Aug;46(4):1848-61. doi: 10.1021/ci060084g. J Chem Inf Model. 2006. PMID: 16859316

5

High-throughput structure-based pharmacophore modelling as a basis for successful parallel virtual screening.

Steindl TM, Schuster D, Wolber G, Laggner C, Langer T. Steindl TM, et al. Among authors: wolber g. J Comput Aided Mol Des. 2006 Dec;20(12):703-15. doi: 10.1007/s10822-006-9066-y. Epub 2006 Sep 29. J Comput Aided Mol Des. 2006. PMID: 17009092

6

Fast and efficient in silico 3D screening: toward maximum computational efficiency of pharmacophore-based and shape-based approaches.

Kirchmair J, Ristic S, Eder K, Markt P, Wolber G, Laggner C, Langer T. Kirchmair J, et al. Among authors: wolber g. J Chem Inf Model. 2007 Nov-Dec;47(6):2182-96. doi: 10.1021/ci700024q. Epub 2007 Oct 11. J Chem Inf Model. 2007. PMID: 17929799

7

Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection--what can we learn from earlier mistakes?

Kirchmair J, Markt P, Distinto S, Wolber G, Langer T. Kirchmair J, et al. Among authors: wolber g. J Comput Aided Mol Des. 2008 Mar-Apr;22(3-4):213-28. doi: 10.1007/s10822-007-9163-6. Epub 2008 Jan 15. J Comput Aided Mol Des. 2008. PMID: 18196462 Review.

8

Discovery of nonsteroidal 17beta-hydroxysteroid dehydrogenase 1 inhibitors by pharmacophore-based screening of virtual compound libraries.

Schuster D, Nashev LG, Kirchmair J, Laggner C, Wolber G, Langer T, Odermatt A. Schuster D, et al. Among authors: wolber g. J Med Chem. 2008 Jul 24;51(14):4188-99. doi: 10.1021/jm800054h. Epub 2008 Jun 6. J Med Chem. 2008. PMID: 18533708

9

Discovery of novel cathepsin S inhibitors by pharmacophore-based virtual high-throughput screening.

Markt P, McGoohan C, Walker B, Kirchmair J, Feldmann C, De Martino G, Spitzer G, Distinto S, Schuster D, Wolber G, Laggner C, Langer T. Markt P, et al. Among authors: wolber g. J Chem Inf Model. 2008 Aug;48(8):1693-705. doi: 10.1021/ci800101j. Epub 2008 Jul 19. J Chem Inf Model. 2008. PMID: 18637674

10

Enhancing drug discovery through in silico screening: strategies to increase true positives retrieval rates.

Kirchmair J, Distinto S, Schuster D, Spitzer G, Langer T, Wolber G. Kirchmair J, et al. Among authors: wolber g. Curr Med Chem. 2008;15(20):2040-53. doi: 10.2174/092986708785132843. Curr Med Chem. 2008. PMID: 18691055 Review.

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

220 results

Search Page

Filters