Baumann K - Search Results

1

Evaluation of extended parameter sets for the 3D-QSAR technique MaP: implications for interpretability and model quality exemplified by antimalarially active naphthylisoquinoline alkaloids.

Stiefl N, Bringmann G, Rummey C, Baumann K. Stiefl N, et al. Among authors: baumann k. J Comput Aided Mol Des. 2003 May-Jun;17(5-6):347-65. doi: 10.1023/a:1026125706388. J Comput Aided Mol Des. 2003. PMID: 14635727

2

Structure-based validation of the 3D-QSAR technique MaP.

Stiefl N, Baumann K. Stiefl N, et al. Among authors: baumann k. J Chem Inf Model. 2005 May-Jun;45(3):739-49. doi: 10.1021/ci049683i. J Chem Inf Model. 2005. PMID: 15921463

3

Validation tools for variable subset regression.

Baumann K, Stiefl N. Baumann K, et al. J Comput Aided Mol Des. 2004 Jul-Sep;18(7-9):549-62. doi: 10.1007/s10822-004-4071-5. J Comput Aided Mol Des. 2004. PMID: 15729854

4

Mapping property distributions of molecular surfaces: algorithm and evaluation of a novel 3D quantitative structure-activity relationship technique.

Stiefl N, Baumann K. Stiefl N, et al. Among authors: baumann k. J Med Chem. 2003 Apr 10;46(8):1390-407. doi: 10.1021/jm021077w. J Med Chem. 2003. PMID: 12672239

5

QSAR guided synthesis of simplified antiplasmodial analogs of naphthylisoquinoline alkaloids.

Bringmann G, Bischof SK, Müller S, Gulder T, Winter C, Stich A, Moll H, Kaiser M, Brun R, Dreher J, Baumann K. Bringmann G, et al. Among authors: baumann k. Eur J Med Chem. 2010 Nov;45(11):5370-83. doi: 10.1016/j.ejmech.2010.08.062. Epub 2010 Sep 17. Eur J Med Chem. 2010. PMID: 20850207

6

xMaP-An Interpretable Alignment-Free Four-Dimensional Quantitative Structure-Activity Relationship Technique Based on Molecular Surface Properties and Conformer Ensembles.

Dreher J, Scheiber J, Stiefl N, Baumann K. Dreher J, et al. Among authors: baumann k. J Chem Inf Model. 2018 Jan 22;58(1):165-181. doi: 10.1021/acs.jcim.7b00419. Epub 2018 Jan 2. J Chem Inf Model. 2018. PMID: 29172519

7

Probing the pharmacophore for allosteric ligands of muscarinic M2 receptors: SAR and QSAR studies in a series of bisquaternary salts of caracurine V and related ring systems.

Zlotos DP, Buller S, Stiefl N, Baumann K, Mohr K. Zlotos DP, et al. Among authors: baumann k. J Med Chem. 2004 Jul 1;47(14):3561-71. doi: 10.1021/jm0311341. J Med Chem. 2004. PMID: 15214783

8

A new lead for nonpeptidic active-site-directed inhibitors of the severe acute respiratory syndrome coronavirus main protease discovered by a combination of screening and docking methods.

Kaeppler U, Stiefl N, Schiller M, Vicik R, Breuning A, Schmitz W, Rupprecht D, Schmuck C, Baumann K, Ziebuhr J, Schirmeister T. Kaeppler U, et al. Among authors: baumann k. J Med Chem. 2005 Nov 3;48(22):6832-42. doi: 10.1021/jm0501782. J Med Chem. 2005. PMID: 16250642

9

Synthesis, biological activity, and docking studies of new acetylcholinesterase inhibitors of the bispyridinium type.

Kapková P, Stiefl N, Sürig U, Engels B, Baumann K, Holzgrabe U. Kapková P, et al. Among authors: baumann k. Arch Pharm (Weinheim). 2003 Nov;336(11):523-40. doi: 10.1002/ardp.200300795. Arch Pharm (Weinheim). 2003. PMID: 14639745

10

Bisquaternary caracurine V and iso-caracurine V salts as ligands for the muscle type of nicotinic acetylcholine receptors: SAR and QSAR studies.

Zlotos DP, Gündisch D, Ferraro S, Tilotta MC, Stiefl N, Baumann K. Zlotos DP, et al. Among authors: baumann k. Bioorg Med Chem. 2004 Dec 1;12(23):6277-85. doi: 10.1016/j.bmc.2004.08.053. Bioorg Med Chem. 2004. PMID: 15519170

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