van Gunsteren WF - Search Results

1

Entropy calculation of HIV-1 Env gp120, its receptor CD4, and their complex: an analysis of configurational entropy changes upon complexation.

Hsu ST, Peter C, van Gunsteren WF, Bonvin AM. Hsu ST, et al. Among authors: van gunsteren wf. Biophys J. 2005 Jan;88(1):15-24. doi: 10.1529/biophysj.104.044933. Epub 2004 Oct 15. Biophys J. 2005. PMID: 15489307 Free PMC article.

2

beta-hairpin stability and folding: molecular dynamics studies of the first beta-hairpin of tendamistat.

Bonvin AM, van Gunsteren WF. Bonvin AM, et al. Among authors: van gunsteren wf. J Mol Biol. 2000 Feb 11;296(1):255-68. doi: 10.1006/jmbi.1999.3446. J Mol Biol. 2000. PMID: 10656830

3

A comparison of methods for calculating NMR cross-relaxation rates (NOESY and ROESY intensities) in small peptides.

Feenstra KA, Peter C, Scheek RM, van Gunsteren WF, Mark AE. Feenstra KA, et al. Among authors: van gunsteren wf. J Biomol NMR. 2002 Jul;23(3):181-94. doi: 10.1023/a:1019854626147. J Biomol NMR. 2002. PMID: 12238590

4

Calculation of NMR-relaxation parameters for flexible molecules from molecular dynamics simulations.

Peter C, Daura X, van Gunsteren WF. Peter C, et al. Among authors: van gunsteren wf. J Biomol NMR. 2001 Aug;20(4):297-310. doi: 10.1023/a:1011241030461. J Biomol NMR. 2001. PMID: 11563554

5

Unfolded state of peptides.

Daura X, Glättli A, Gee P, Peter C, van Gunsteren WF. Daura X, et al. Among authors: van gunsteren wf. Adv Protein Chem. 2002;62:341-60. doi: 10.1016/s0065-3233(02)62013-3. Adv Protein Chem. 2002. PMID: 12418109 Review. No abstract available.

6

Molecular dynamics simulations of small peptides: can one derive conformational preferences from ROESY spectra?

Peter C, Rueping M, Wörner HJ, Jaun B, Seebach D, van Gunsteren WF. Peter C, et al. Among authors: van gunsteren wf. Chemistry. 2003 Dec 5;9(23):5838-49. doi: 10.1002/chem.200305147. Chemistry. 2003. PMID: 14673855

7

Water molecules in DNA recognition II: a molecular dynamics view of the structure and hydration of the trp operator.

Bonvin AM, Sunnerhagen M, Otting G, van Gunsteren WF. Bonvin AM, et al. Among authors: van gunsteren wf. J Mol Biol. 1998 Oct 2;282(4):859-73. doi: 10.1006/jmbi.1998.2034. J Mol Biol. 1998. PMID: 9743632

8

Configurational entropy change of netropsin and distamycin upon DNA minor-groove binding.

Dolenc J, Baron R, Oostenbrink C, Koller J, van Gunsteren WF. Dolenc J, et al. Among authors: van gunsteren wf. Biophys J. 2006 Aug 15;91(4):1460-70. doi: 10.1529/biophysj.105.074617. Epub 2006 May 26. Biophys J. 2006. PMID: 16731550 Free PMC article.

9

Estimating entropies from molecular dynamics simulations.

Peter C, Oostenbrink C, van Dorp A, van Gunsteren WF. Peter C, et al. Among authors: van dorp a, van gunsteren wf. J Chem Phys. 2004 Feb 8;120(6):2652-61. doi: 10.1063/1.1636153. J Chem Phys. 2004. PMID: 15268408

10

Molecular dynamics simulations of oxidized and reduced Clostridium beijerinckii flavodoxin.

Leenders R, van Gunsteren WF, Berendsen HJ, Visser AJ. Leenders R, et al. Among authors: van gunsteren wf. Biophys J. 1994 Mar;66(3 Pt 1):634-45. doi: 10.1016/s0006-3495(94)80837-9. Biophys J. 1994. PMID: 8011895 Free PMC article.

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