Gohlke H - Search Results

1

A natural coarse graining for simulating large biomolecular motion.

Gohlke H, Thorpe MF. Gohlke H, et al. Biophys J. 2006 Sep 15;91(6):2115-20. doi: 10.1529/biophysj.106.083568. Epub 2006 Jun 30. Biophys J. 2006. PMID: 16815893 Free PMC article.

2

Analyzing the flexibility of RNA structures by constraint counting.

Fulle S, Gohlke H. Fulle S, et al. Among authors: gohlke h. Biophys J. 2008 Jun;94(11):4202-19. doi: 10.1529/biophysj.107.113415. Epub 2008 Feb 15. Biophys J. 2008. PMID: 18281388 Free PMC article.

3

Starting structure dependence of NMR order parameters derived from MD simulations: implications for judging force-field quality.

Koller AN, Schwalbe H, Gohlke H. Koller AN, et al. Among authors: gohlke h. Biophys J. 2008 Jul;95(1):L04-6. doi: 10.1529/biophysj.108.132811. Epub 2008 Apr 25. Biophys J. 2008. PMID: 18441027 Free PMC article.

4

Large-scale comparison of protein essential dynamics from molecular dynamics simulations and coarse-grained normal mode analyses.

Ahmed A, Villinger S, Gohlke H. Ahmed A, et al. Among authors: gohlke h. Proteins. 2010 Dec;78(16):3341-52. doi: 10.1002/prot.22841. Proteins. 2010. PMID: 20848551

5

A normal mode-based geometric simulation approach for exploring biologically relevant conformational transitions in proteins.

Ahmed A, Rippmann F, Barnickel G, Gohlke H. Ahmed A, et al. Among authors: gohlke h. J Chem Inf Model. 2011 Jul 25;51(7):1604-22. doi: 10.1021/ci100461k. Epub 2011 Jun 23. J Chem Inf Model. 2011. PMID: 21639141

6

Multiscale modeling of macromolecular conformational changes combining concepts from rigidity and elastic network theory.

Ahmed A, Gohlke H. Ahmed A, et al. Among authors: gohlke h. Proteins. 2006 Jun 1;63(4):1038-51. doi: 10.1002/prot.20907. Proteins. 2006. PMID: 16493629

7

Targeting protein-protein interactions with small molecules: challenges and perspectives for computational binding epitope detection and ligand finding.

González-Ruiz D, Gohlke H. González-Ruiz D, et al. Among authors: gohlke h. Curr Med Chem. 2006;13(22):2607-25. doi: 10.2174/092986706778201530. Curr Med Chem. 2006. PMID: 17017914 Review.

8

Predicting transmembrane helix pair configurations with knowledge-based distance-dependent pair potentials.

Wendel C, Gohlke H. Wendel C, et al. Among authors: gohlke h. Proteins. 2008 Feb 15;70(3):984-99. doi: 10.1002/prot.21574. Proteins. 2008. PMID: 17847096

9

Constraint counting on RNA structures: linking flexibility and function.

Fulle S, Gohlke H. Fulle S, et al. Among authors: gohlke h. Methods. 2009 Oct;49(2):181-8. doi: 10.1016/j.ymeth.2009.04.004. Epub 2009 May 4. Methods. 2009. PMID: 19398009 Review.

10

HIV-1 TAR RNA spontaneously undergoes relevant apo-to-holo conformational transitions in molecular dynamics and constrained geometrical simulations.

Fulle S, Christ NA, Kestner E, Gohlke H. Fulle S, et al. Among authors: gohlke h. J Chem Inf Model. 2010 Aug 23;50(8):1489-501. doi: 10.1021/ci100101w. J Chem Inf Model. 2010. PMID: 20726603 Free article.

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