Wolber G - Search Results

1

In Silico Prediction of Human Sulfotransferase 1E1 Activity Guided by Pharmacophores from Molecular Dynamics Simulations.

Rakers C, Schumacher F, Meinl W, Glatt H, Kleuser B, Wolber G. Rakers C, et al. Among authors: wolber g. J Biol Chem. 2016 Jan 1;291(1):58-71. doi: 10.1074/jbc.M115.685610. Epub 2015 Nov 5. J Biol Chem. 2016. PMID: 26542807 Free PMC article.

2

Computational tools for in silico fragment-based drug design.

Mortier J, Rakers C, Frederick R, Wolber G. Mortier J, et al. Among authors: wolber g. Curr Top Med Chem. 2012;12(17):1935-43. doi: 10.2174/156802612804547371. Curr Top Med Chem. 2012. PMID: 23116473 Review.

3

Combining pharmacophore- and MD-based modelling for phase II metabolism prediction.

Rakers C, Wolber G. Rakers C, et al. Among authors: wolber g. J Cheminform. 2014 Mar 11;6(Suppl 1):O15. doi: 10.1186/1758-2946-6-S1-O15. eCollection 2014 Mar. J Cheminform. 2014. PMID: 24765113 Free PMC article. No abstract available.

4

Inhibitory potency of flavonoid derivatives on influenza virus neuraminidase.

Rakers C, Schwerdtfeger SM, Mortier J, Duwe S, Wolff T, Wolber G, Melzig MF. Rakers C, et al. Among authors: wolber g. Bioorg Med Chem Lett. 2014 Sep 1;24(17):4312-7. doi: 10.1016/j.bmcl.2014.07.010. Epub 2014 Jul 18. Bioorg Med Chem Lett. 2014. PMID: 25096296

5

The impact of molecular dynamics on drug design: applications for the characterization of ligand-macromolecule complexes.

Mortier J, Rakers C, Bermudez M, Murgueitio MS, Riniker S, Wolber G. Mortier J, et al. Among authors: wolber g. Drug Discov Today. 2015 Jun;20(6):686-702. doi: 10.1016/j.drudis.2015.01.003. Epub 2015 Jan 20. Drug Discov Today. 2015. PMID: 25615716 Review.

6

Structure versus function-The impact of computational methods on the discovery of specific GPCR-ligands.

Bermudez M, Wolber G. Bermudez M, et al. Among authors: wolber g. Bioorg Med Chem. 2015 Jul 15;23(14):3907-12. doi: 10.1016/j.bmc.2015.03.026. Epub 2015 Mar 14. Bioorg Med Chem. 2015. PMID: 25828056 Review.

7

Ligand Binding Ensembles Determine Graded Agonist Efficacies at a G Protein-coupled Receptor.

Bock A, Bermudez M, Krebs F, Matera C, Chirinda B, Sydow D, Dallanoce C, Holzgrabe U, De Amici M, Lohse MJ, Wolber G, Mohr K. Bock A, et al. Among authors: wolber g. J Biol Chem. 2016 Jul 29;291(31):16375-89. doi: 10.1074/jbc.M116.735431. Epub 2016 Jun 13. J Biol Chem. 2016. PMID: 27298318 Free PMC article.

8

More than a look into a crystal ball: protein structure elucidation guided by molecular dynamics simulations.

Bermudez M, Mortier J, Rakers C, Sydow D, Wolber G. Bermudez M, et al. Among authors: wolber g. Drug Discov Today. 2016 Nov;21(11):1799-1805. doi: 10.1016/j.drudis.2016.07.001. Epub 2016 Jul 11. Drug Discov Today. 2016. PMID: 27417339 Review.

9

Structural Characteristics of the Allosteric Binding Site Represent a Key to Subtype Selective Modulators of Muscarinic Acetylcholine Receptors.

Bermudez M, Rakers C, Wolber G. Bermudez M, et al. Among authors: wolber g. Mol Inform. 2015 Aug;34(8):526-30. doi: 10.1002/minf.201500025. Epub 2015 Jul 1. Mol Inform. 2015. PMID: 27490498

10

Balancing Inflammation: Computational Design of Small-Molecule Toll-like Receptor Modulators.

Murgueitio MS, Rakers C, Frank A, Wolber G. Murgueitio MS, et al. Among authors: wolber g. Trends Pharmacol Sci. 2017 Feb;38(2):155-168. doi: 10.1016/j.tips.2016.10.007. Epub 2016 Nov 15. Trends Pharmacol Sci. 2017. PMID: 27863853 Review.

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