Steinbrecher T - Search Results

1

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: steinbrecher t. 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

2

Direct simulation of electron transfer reactions in DNA radical cations.

Steinbrecher T, Koslowski T, Case DA. Steinbrecher T, et al. J Phys Chem B. 2008 Dec 25;112(51):16935-44. doi: 10.1021/jp8076134. J Phys Chem B. 2008. PMID: 19049302 Free PMC article.

3

The thermodynamics of charge transfer in DNA photolyase: using thermodynamic integration calculations to analyse the kinetics of electron transfer reactions.

Krapf S, Koslowski T, Steinbrecher T. Krapf S, et al. Among authors: steinbrecher t. Phys Chem Chem Phys. 2010 Aug 28;12(32):9516-25. doi: 10.1039/c000876a. Epub 2010 Jun 8. Phys Chem Chem Phys. 2010. PMID: 20532362

4

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. J Med Chem. 2006 Mar 23;49(6):1837-44. doi: 10.1021/jm0505720. J Med Chem. 2006. PMID: 16539369

5

Recent progress in biological charge transfer: theory and simulation.

Koslowski T, Burggraf F, Krapf S, Steinbrecher T, Wittekindt C. Koslowski T, et al. Among authors: steinbrecher t. Biochim Biophys Acta. 2012 Oct;1817(10):1955-7. doi: 10.1016/j.bbabio.2012.02.025. Epub 2012 Feb 28. Biochim Biophys Acta. 2012. PMID: 22395149 Free article.

6

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. 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.

7

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. 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

8

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. 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

9

Thermodynamic integration network approach to ion transport through protein channels: Perspectives and limits.

Na S, Steinbrecher T, Koslowski T. Na S, et al. Among authors: steinbrecher t. J Comput Chem. 2018 Nov 15;39(30):2539-2550. doi: 10.1002/jcc.25615. Epub 2018 Oct 11. J Comput Chem. 2018. PMID: 30306616

10

Plant phenolics inhibit neutrophil elastase.

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

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