Labahn A - Search Results

1

Towards accurate free energy calculations in ligand protein-binding studies.

Steinbrecher T, Labahn A. Steinbrecher T, et al. Among authors: labahn a. Curr Med Chem. 2010;17(8):767-85. doi: 10.2174/092986710790514453. Curr Med Chem. 2010. PMID: 20088755 Review.

2

A multistep approach to structure-based drug design: studying ligand binding at the human neutrophil elastase.

Steinbrecher T, Case DA, Labahn A. Steinbrecher T, et al. Among authors: labahn a. J Med Chem. 2006 Mar 23;49(6):1837-44. doi: 10.1021/jm0505720. J Med Chem. 2006. PMID: 16539369

3

Free energy calculations on the binding of novel thiolactomycin derivatives to E. coli fatty acid synthase I.

Steinbrecher T, Case DA, Labahn A. Steinbrecher T, et al. Among authors: labahn a. Bioorg Med Chem. 2012 Jun 1;20(11):3446-53. doi: 10.1016/j.bmc.2012.04.019. Epub 2012 Apr 16. Bioorg Med Chem. 2012. PMID: 22560835

4

Binding affinities and protein ligand complex geometries of nucleotides at the F(1) part of the mitochondrial ATP synthase obtained by ligand docking calculations.

Steinbrecher T, Hucke O, Steigmiller S, Börsch M, Labahn A. Steinbrecher T, et al. Among authors: labahn a. FEBS Lett. 2002 Oct 23;530(1-3):99-103. doi: 10.1016/s0014-5793(02)03433-6. FEBS Lett. 2002. PMID: 12387874 Free article.

5

Bornyl (3,4,5-trihydroxy)-cinnamate--an optimized human neutrophil elastase inhibitor designed by free energy calculations.

Steinbrecher T, Hrenn A, Dormann KL, Merfort I, Labahn A. Steinbrecher T, et al. Among authors: labahn a. Bioorg Med Chem. 2008 Mar 1;16(5):2385-90. doi: 10.1016/j.bmc.2007.11.070. Epub 2007 Nov 29. Bioorg Med Chem. 2008. PMID: 18078761

6

Static and dynamic aspects of DNA charge transfer: a theoretical perspective.

Cramer T, Steinbrecher T, Labahn A, Koslowski T. Cramer T, et al. Among authors: labahn a. Phys Chem Chem Phys. 2005 Dec 21;7(24):4039-50. doi: 10.1039/b507454a. Epub 2005 Sep 1. Phys Chem Chem Phys. 2005. PMID: 16474867

7

Plant phenolics inhibit neutrophil elastase.

Hrenn A, Steinbrecher T, Labahn A, Schwager J, Schempp CM, Merfort I. Hrenn A, et al. Among authors: labahn a. Planta Med. 2006 Oct;72(12):1127-31. doi: 10.1055/s-2006-946700. Planta Med. 2006. PMID: 17024589

8

Conformational changes of the H+-ATPase from Escherichia coli upon nucleotide binding detected by single molecule fluorescence.

Börsch M, Turina P, Eggeling C, Fries JR, Seidel CA, Labahn A, Gräber P. Börsch M, et al. Among authors: labahn a. FEBS Lett. 1998 Oct 23;437(3):251-4. doi: 10.1016/s0014-5793(98)01247-2. FEBS Lett. 1998. PMID: 9824301 Free article.

9

Structure activity relationship studies of cinnamic acid derivatives as inhibitors of human neutrophil elastase revealed by ligand docking calculations.

Siedle B, Murillo R, Hucke O, Labahn A, Merfort I. Siedle B, et al. Among authors: labahn a. Pharmazie. 2003 May;58(5):337-9. Pharmazie. 2003. PMID: 12779051

10

Exploring the primary electron acceptor (QA)-site of the bacterial reaction center from Rhodobacter sphaeroides. Binding mode of vitamin K derivatives.

Hucke O, Schmid R, Labahn A. Hucke O, et al. Among authors: labahn a. Eur J Biochem. 2002 Feb;269(4):1096-108. doi: 10.1046/j.0014-2956.2001.02699.x. Eur J Biochem. 2002. PMID: 11856340 Free article.

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