Kriegl JM - Search Results

1

Rodent selectivity of piperidine-4-yl-1H-indoles, a series of CC chemokine receptor-3 (CCR3) antagonists: insights from a receptor model.

Kriegl JM, Martyres D, Grundl MA, Anderskewitz R, Dollinger H, Rast G, Schmid B, Seither P, Tautermann CS. Kriegl JM, et al. Bioorg Med Chem Lett. 2015 Jan 15;25(2):229-35. doi: 10.1016/j.bmcl.2014.11.063. Epub 2014 Nov 27. Bioorg Med Chem Lett. 2015. PMID: 25497216

2

What can we learn from molecular dynamics simulations for GPCR drug design?

Tautermann CS, Seeliger D, Kriegl JM. Tautermann CS, et al. Among authors: kriegl jm. Comput Struct Biotechnol J. 2014 Dec 10;13:111-21. doi: 10.1016/j.csbj.2014.12.002. eCollection 2015. Comput Struct Biotechnol J. 2014. PMID: 25709761 Free PMC article.

3

Bias-correction of regression models: a case study on hERG inhibition.

Hansen K, Rathke F, Schroeter T, Rast G, Fox T, Kriegl JM, Mika S. Hansen K, et al. Among authors: kriegl jm. J Chem Inf Model. 2009 Jun;49(6):1486-96. doi: 10.1021/ci9000794. J Chem Inf Model. 2009. PMID: 19435326

4

A composite model for HERG blockade.

Kramer C, Beck B, Kriegl JM, Clark T. Kramer C, et al. Among authors: kriegl jm. ChemMedChem. 2008 Feb;3(2):254-65. doi: 10.1002/cmdc.200700221. ChemMedChem. 2008. PMID: 18061919

5

Multivariate modeling of cytochrome P450 3A4 inhibition.

Kriegl JM, Eriksson L, Arnhold T, Beck B, Johansson E, Fox T. Kriegl JM, et al. Eur J Pharm Sci. 2005 Apr;24(5):451-63. doi: 10.1016/j.ejps.2004.12.009. Eur J Pharm Sci. 2005. PMID: 15784335

6

Designing Multi-target Compound Libraries with Gaussian Process Models.

Bieler M, Reutlinger M, Rodrigues T, Schneider P, Kriegl JM, Schneider G. Bieler M, et al. Among authors: kriegl jm. Mol Inform. 2016 May;35(5):192-8. doi: 10.1002/minf.201501012. Epub 2016 Mar 2. Mol Inform. 2016. PMID: 27492085

7

Machine learning techniques for in silico modeling of drug metabolism.

Fox T, Kriegl JM. Fox T, et al. Among authors: kriegl jm. Curr Top Med Chem. 2006;6(15):1579-91. doi: 10.2174/156802606778108915. Curr Top Med Chem. 2006. PMID: 16918470 Review.

8

The impact of data integrity on decision making in early lead discovery.

Beck B, Seeliger D, Kriegl JM. Beck B, et al. Among authors: kriegl jm. J Comput Aided Mol Des. 2015 Sep;29(9):911-21. doi: 10.1007/s10822-015-9871-2. Epub 2015 Sep 26. J Comput Aided Mol Des. 2015. PMID: 26409840

9

Computational approaches to predict drug metabolism.

Czodrowski P, Kriegl JM, Scheuerer S, Fox T. Czodrowski P, et al. Among authors: kriegl jm. Expert Opin Drug Metab Toxicol. 2009 Jan;5(1):15-27. doi: 10.1517/17425250802568009. Expert Opin Drug Metab Toxicol. 2009. PMID: 19236226 Review.

10

A support vector machine approach to classify human cytochrome P450 3A4 inhibitors.

Kriegl JM, Arnhold T, Beck B, Fox T. Kriegl JM, et al. J Comput Aided Mol Des. 2005 Mar;19(3):189-201. doi: 10.1007/s10822-005-3785-3. J Comput Aided Mol Des. 2005. PMID: 16059671

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