Reutlinger M - Search Results

1

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: reutlinger m. Mol Inform. 2016 May;35(5):192-8. doi: 10.1002/minf.201501012. Epub 2016 Mar 2. Mol Inform. 2016. PMID: 27492085

2

Nonlinear dimensionality reduction and mapping of compound libraries for drug discovery.

Reutlinger M, Schneider G. Reutlinger M, et al. J Mol Graph Model. 2012 Apr;34:108-17. doi: 10.1016/j.jmgm.2011.12.006. Epub 2012 Jan 2. J Mol Graph Model. 2012. PMID: 22326864 Review.

3

Combining on-chip synthesis of a focused combinatorial library with computational target prediction reveals imidazopyridine GPCR ligands.

Reutlinger M, Rodrigues T, Schneider P, Schneider G. Reutlinger M, et al. Angew Chem Int Ed Engl. 2014 Jan 7;53(2):582-5. doi: 10.1002/anie.201307786. Epub 2013 Nov 26. Angew Chem Int Ed Engl. 2014. PMID: 24282133

4

Multi-objective molecular de novo design by adaptive fragment prioritization.

Reutlinger M, Rodrigues T, Schneider P, Schneider G. Reutlinger M, et al. Angew Chem Int Ed Engl. 2014 Apr 14;53(16):4244-8. doi: 10.1002/anie.201310864. Epub 2014 Mar 12. Angew Chem Int Ed Engl. 2014. PMID: 24623390

5

Reaction-driven de novo design, synthesis and testing of potential type II kinase inhibitors.

Schneider G, Geppert T, Hartenfeller M, Reisen F, Klenner A, Reutlinger M, Hähnke V, Hiss JA, Zettl H, Keppner S, Spänkuch B, Schneider P. Schneider G, et al. Among authors: reutlinger m. Future Med Chem. 2011 Mar;3(4):415-24. doi: 10.4155/fmc.11.8. Future Med Chem. 2011. PMID: 21452978

6

Chemically Advanced Template Search (CATS) for Scaffold-Hopping and Prospective Target Prediction for 'Orphan' Molecules.

Reutlinger M, Koch CP, Reker D, Todoroff N, Schneider P, Rodrigues T, Schneider G. Reutlinger M, et al. Mol Inform. 2013 Feb;32(2):133-138. doi: 10.1002/minf.201200141. Epub 2013 Feb 7. Mol Inform. 2013. PMID: 23956801 Free PMC article. No abstract available.

7

Combinatorial chemistry by ant colony optimization.

Hiss JA, Reutlinger M, Koch CP, Perna AM, Schneider P, Rodrigues T, Haller S, Folkers G, Weber L, Baleeiro RB, Walden P, Wrede P, Schneider G. Hiss JA, et al. Among authors: reutlinger m. Future Med Chem. 2014 Mar;6(3):267-80. doi: 10.4155/fmc.13.203. Future Med Chem. 2014. PMID: 24575965

8

Multidimensional de novo design reveals 5-HT2B receptor-selective ligands.

Rodrigues T, Hauser N, Reker D, Reutlinger M, Wunderlin T, Hamon J, Koch G, Schneider G. Rodrigues T, et al. Among authors: reutlinger m. Angew Chem Int Ed Engl. 2015 Jan 26;54(5):1551-5. doi: 10.1002/anie.201410201. Epub 2014 Dec 4. Angew Chem Int Ed Engl. 2015. PMID: 25475886

9

Neighborhood-preserving visualization of adaptive structure-activity landscapes: application to drug discovery.

Reutlinger M, Guba W, Martin RE, Alanine AI, Hoffmann T, Klenner A, Hiss JA, Schneider P, Schneider G. Reutlinger M, et al. Angew Chem Int Ed Engl. 2011 Dec 2;50(49):11633-6. doi: 10.1002/anie.201105156. Epub 2011 Oct 7. Angew Chem Int Ed Engl. 2011. PMID: 21984024 No abstract available.

10

Voyages to the (un)known: adaptive design of bioactive compounds.

Schneider G, Hartenfeller M, Reutlinger M, Tanrikulu Y, Proschak E, Schneider P. Schneider G, et al. Among authors: reutlinger m. Trends Biotechnol. 2009 Jan;27(1):18-26. doi: 10.1016/j.tibtech.2008.09.005. Epub 2008 Nov 10. Trends Biotechnol. 2009. PMID: 19004513 Review.

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