Wallnoefer HG - Search Results

1

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. J Phys Chem B. 2010 Jun 3;114(21):7405-12. doi: 10.1021/jp101654g. J Phys Chem B. 2010. PMID: 20446703

2

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

Wallnoefer HG, Fox T, Liedl KR, Tautermann CS. Wallnoefer HG, et al. 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

3

A challenging system: free energy prediction for factor Xa.

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

4

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

Wallnoefer HG, Liedl KR, Fox T. Wallnoefer HG, et al. 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

5

Entropy from state probabilities: hydration entropy of cations.

Huber RG, Fuchs JE, von Grafenstein S, Laner M, Wallnoefer HG, Abdelkader N, Kroemer RT, Liedl KR. Huber RG, et al. Among authors: wallnoefer hg. J Phys Chem B. 2013 May 30;117(21):6466-72. doi: 10.1021/jp311418q. Epub 2013 May 20. J Phys Chem B. 2013. PMID: 23651109 Free PMC article.

6

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. J Am Chem Soc. 2010 Aug 4;132(30):10330-7. doi: 10.1021/ja909908y. J Am Chem Soc. 2010. PMID: 20617834 Free article.

7

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: wallnoefer hg. Proteins. 2014 Apr;82(4):546-55. doi: 10.1002/prot.24417. Epub 2013 Oct 19. Proteins. 2014. PMID: 24085488 Free PMC article.

8

Interface dynamics explain assembly dependency of influenza neuraminidase catalytic activity.

von Grafenstein S, Wallnoefer HG, Kirchmair J, Fuchs JE, Huber RG, Schmidtke M, Sauerbrei A, Rollinger JM, Liedl KR. von Grafenstein S, et al. Among authors: wallnoefer hg. J Biomol Struct Dyn. 2015;33(1):104-20. doi: 10.1080/07391102.2013.855142. Epub 2013 Nov 27. J Biomol Struct Dyn. 2015. PMID: 24279589 Free PMC article.

9

First Principles-Based Calculations of Free Energy of Binding: Application to Ligand Binding in a Self-Assembling Superstructure.

Fox S, Wallnoefer HG, Fox T, Tautermann CS, Skylaris CK. Fox S, et al. Among authors: wallnoefer hg. J Chem Theory Comput. 2011 Apr 12;7(4):1102-8. doi: 10.1021/ct100706u. Epub 2011 Mar 16. J Chem Theory Comput. 2011. PMID: 26606358

10

Dynamic regulation of phenylalanine hydroxylase by simulated redox manipulation.

Fuchs JE, Huber RG, von Grafenstein S, Wallnoefer HG, Spitzer GM, Fuchs D, Liedl KR. Fuchs JE, et al. Among authors: wallnoefer hg. PLoS One. 2012;7(12):e53005. doi: 10.1371/journal.pone.0053005. Epub 2012 Dec 31. PLoS One. 2012. PMID: 23300845 Free PMC article.

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

12 results

Search Page

Filters