Wagener M - Search Results

1

The comparison of geometric and electronic properties of molecular surfaces by neural networks: application to the analysis of corticosteroid-binding globulin activity of steroids.

Anzali S, Barnickel G, Krug M, Sadowski J, Wagener M, Gasteiger J, Polanski J. Anzali S, et al. Among authors: wagener m. J Comput Aided Mol Des. 1996 Dec;10(6):521-34. doi: 10.1007/BF00134176. J Comput Aided Mol Des. 1996. PMID: 9007686

2

Comparison of structurally different allosteric modulators of muscarinic receptors by self-organizing neural networks.

Holzgrabe U, Wagener M, Gasteiger J. Holzgrabe U, et al. Among authors: wagener m. J Mol Graph. 1996 Aug;14(4):185-93, 217-21. doi: 10.1016/s0263-7855(96)00060-4. J Mol Graph. 1996. PMID: 9076632

3

Locating biologically active compounds in medium-sized heterogeneous datasets by topological autocorrelation vectors: dopamine and benzodiazepine agonists.

Bauknecht H, Zell A, Bayer H, Levi P, Wagener M, Sadowski J, Gasteiger J. Bauknecht H, et al. Among authors: wagener m. J Chem Inf Comput Sci. 1996 Nov-Dec;36(6):1205-13. doi: 10.1021/ci960346m. J Chem Inf Comput Sci. 1996. PMID: 8941996

4

Superposition of three-dimensional chemical structures allowing for conformational flexibility by a hybrid method.

Handschuh S, Wagener M, Gasteiger J. Handschuh S, et al. Among authors: wagener m. J Chem Inf Comput Sci. 1998 Mar-Apr;38(2):220-32. doi: 10.1021/ci970438r. J Chem Inf Comput Sci. 1998. PMID: 9538519

5

Variation of the oxime function of bispyridinium-type allosteric modulators of M2-cholinoceptors.

Gasteiger J, Holzgrabe U, Kostenis E, Mohr K, Sürig U, Wagener M. Gasteiger J, et al. Among authors: wagener m. Pharmazie. 1995 Feb;50(2):99-105. Pharmazie. 1995. PMID: 7700977

6

Pharmacophore fingerprint-based approach to binding site subpocket similarity and its application to bioisostere replacement.

Wood DJ, de Vlieg J, Wagener M, Ritschel T. Wood DJ, et al. Among authors: wagener m. J Chem Inf Model. 2012 Aug 27;52(8):2031-43. doi: 10.1021/ci3000776. Epub 2012 Aug 16. J Chem Inf Model. 2012. PMID: 22830492

7

Potential drugs and nondrugs: prediction and identification of important structural features.

Wagener M, van Geerestein VJ. Wagener M, et al. J Chem Inf Comput Sci. 2000 Mar;40(2):280-92. doi: 10.1021/ci990266t. J Chem Inf Comput Sci. 2000. PMID: 10761129

8

A flexible approach to induced fit docking.

Nabuurs SB, Wagener M, de Vlieg J. Nabuurs SB, et al. Among authors: wagener m. J Med Chem. 2007 Dec 27;50(26):6507-18. doi: 10.1021/jm070593p. Epub 2007 Nov 22. J Med Chem. 2007. PMID: 18031000

9

Revisiting the rule of five on the basis of pharmacokinetic data from rat.

Ridder L, Wang H, de Vlieg J, Wagener M. Ridder L, et al. Among authors: wagener m. ChemMedChem. 2011 Nov 4;6(11):1967-70. doi: 10.1002/cmdc.201100306. Epub 2011 Sep 20. ChemMedChem. 2011. PMID: 21932224 No abstract available.

10

The quest for bioisosteric replacements.

Wagener M, Lommerse JP. Wagener M, et al. J Chem Inf Model. 2006 Mar-Apr;46(2):677-85. doi: 10.1021/ci0503964. J Chem Inf Model. 2006. PMID: 16562998

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