Liedl KR - Search Results

1

Specificity of a protein-protein interface: local dynamics direct substrate recognition of effector caspases.

Fuchs JE, von Grafenstein S, Huber RG, Wallnoefer HG, Liedl KR. Fuchs JE, et al. Among authors: liedl kr. Proteins. 2014 Apr;82(4):546-55. doi: 10.1002/prot.24417. Epub 2013 Oct 19. Proteins. 2014. PMID: 24085488 Free PMC article.

2

Sequence-specific positions of water molecules at the interface between DNA and minor groove binders.

Spitzer GM, Fuchs JE, Markt P, Kirchmair J, Wellenzohn B, Langer T, Liedl KR. Spitzer GM, et al. Among authors: liedl kr. Chemphyschem. 2008 Dec 22;9(18):2766-71. doi: 10.1002/cphc.200800647. Chemphyschem. 2008. PMID: 19025733

3

Stabilizing of a globular protein by a highly complex water network: a molecular dynamics simulation study on factor Xa.

Wallnoefer HG, Handschuh S, Liedl KR, Fox T. Wallnoefer HG, et al. Among authors: liedl kr. J Phys Chem B. 2010 Jun 3;114(21):7405-12. doi: 10.1021/jp101654g. J Phys Chem B. 2010. PMID: 20446703

4

Backbone flexibility controls the activity and specificity of a protein-protein interface: specificity in snake venom metalloproteases.

Wallnoefer HG, Lingott T, Gutiérrez JM, Merfort I, Liedl KR. Wallnoefer HG, et al. Among authors: liedl kr. J Am Chem Soc. 2010 Aug 4;132(30):10330-7. doi: 10.1021/ja909908y. J Am Chem Soc. 2010. PMID: 20617834 Free article.

5

Dispersion dominated halogen-π interactions: energies and locations of minima.

Wallnoefer HG, Fox T, Liedl KR, Tautermann CS. Wallnoefer HG, et al. Among authors: liedl kr. Phys Chem Chem Phys. 2010 Dec 7;12(45):14941-9. doi: 10.1039/c0cp00607f. Epub 2010 Oct 15. Phys Chem Chem Phys. 2010. PMID: 20953472

6

A challenging system: free energy prediction for factor Xa.

Wallnoefer HG, Liedl KR, Fox T. Wallnoefer HG, et al. Among authors: liedl kr. J Comput Chem. 2011 Jun;32(8):1743-52. doi: 10.1002/jcc.21758. Epub 2011 Mar 4. J Comput Chem. 2011. PMID: 21374633

7

[The flexibility of the protein neuraminidase opens new possibilities for drug development].

von Grafenstein S, Liedl KR. von Grafenstein S, et al. Among authors: liedl kr. Pharm Unserer Zeit. 2011 Mar;40(2):99-100. doi: 10.1002/pauz.201190014. Pharm Unserer Zeit. 2011. PMID: 21630532 German. No abstract available.

8

Minor groove binders and drugs targeting proteins cover complementary regions in chemical shape space.

Fuchs JE, Spitzer GM, Javed A, Biela A, Kreutz C, Wellenzohn B, Liedl KR. Fuchs JE, et al. Among authors: liedl kr. J Chem Inf Model. 2011 Sep 26;51(9):2223-32. doi: 10.1021/ci200237c. Epub 2011 Aug 26. J Chem Inf Model. 2011. PMID: 21819135

9

A GRID-derived water network stabilizes molecular dynamics computer simulations of a protease.

Wallnoefer HG, Liedl KR, Fox T. Wallnoefer HG, et al. Among authors: liedl kr. J Chem Inf Model. 2011 Nov 28;51(11):2860-7. doi: 10.1021/ci200138u. Epub 2011 Oct 19. J Chem Inf Model. 2011. PMID: 21970362

10

Influenza neuraminidase: a druggable target for natural products.

Grienke U, Schmidtke M, von Grafenstein S, Kirchmair J, Liedl KR, Rollinger JM. Grienke U, et al. Among authors: liedl kr. Nat Prod Rep. 2012 Jan;29(1):11-36. doi: 10.1039/c1np00053e. Epub 2011 Oct 25. Nat Prod Rep. 2012. PMID: 22025274 Review.

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