van Gunsteren WF - Search Results

1

Estimating the temperature dependence of peptide folding entropies and free enthalpies from total energies in molecular dynamics simulations.

Boned R, van Gunsteren WF, Daura X. Boned R, et al. Among authors: van gunsteren wf. Chemistry. 2008;14(16):5039-46. doi: 10.1002/chem.200701380. Chemistry. 2008. PMID: 18399522

2

On the influence of charged side chains on the folding-unfolding equilibrium of beta-peptides: a molecular dynamics simulation study.

Glättli A, Daura X, Bindschädler P, Jaun B, Mahajan YR, Mathad RI, Rueping M, Seebach D, van Gunsteren WF. Glättli A, et al. Among authors: van gunsteren wf. Chemistry. 2005 Dec 9;11(24):7276-93. doi: 10.1002/chem.200401129. Chemistry. 2005. PMID: 16247825

3

Assessing equilibration and convergence in biomolecular simulations.

Smith LJ, Daura X, van Gunsteren WF. Smith LJ, et al. Among authors: van gunsteren wf. Proteins. 2002 Aug 15;48(3):487-96. doi: 10.1002/prot.10144. Proteins. 2002. PMID: 12112673

4

Molecular dynamics simulations of peptides containing an unnatural amino acid: dimerization, folding, and protein binding.

Yu H, Daura X, van Gunsteren WF. Yu H, et al. Among authors: van gunsteren wf. Proteins. 2004 Jan 1;54(1):116-27. doi: 10.1002/prot.10502. Proteins. 2004. PMID: 14705028

5

beta-hairpin folding and stability: molecular dynamics simulations of designed peptides in aqueous solution.

Santiveri CM, Jiménez MA, Rico M, Van Gunsteren WF, Daura X. Santiveri CM, et al. Among authors: van gunsteren wf. J Pept Sci. 2004 Sep;10(9):546-65. doi: 10.1002/psc.564. J Pept Sci. 2004. PMID: 15473263

6

Folding study of an Aib-rich peptide in DMSO by molecular dynamics simulations.

Bürgi R, Daura X, Mark A, Bellanda M, Mammi S, Peggion E, van Gunsteren W. Bürgi R, et al. J Pept Res. 2001 Feb;57(2):107-18. doi: 10.1034/j.1399-3011.2001.00793.x. J Pept Res. 2001. PMID: 11168894

7

Reversible peptide folding in solution by molecular dynamics simulation.

Daura X, Jaun B, Seebach D, van Gunsteren WF, Mark AE. Daura X, et al. Among authors: van gunsteren wf. J Mol Biol. 1998 Jul 31;280(5):925-32. doi: 10.1006/jmbi.1998.1885. J Mol Biol. 1998. PMID: 9671560

8

Folding-unfolding thermodynamics of a beta-heptapeptide from equilibrium simulations.

Daura X, van Gunsteren WF, Mark AE. Daura X, et al. Among authors: van gunsteren wf. Proteins. 1999 Feb 15;34(3):269-80. doi: 10.1002/(sici)1097-0134(19990215)34:3<269::aid-prot1>3.0.co;2-3. Proteins. 1999. PMID: 10024015

9

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

10

Circular dichroism spectra of beta-peptides: sensitivity to molecular structure and effects of motional averaging.

Daura X, Bakowies D, Seebach D, Fleischhauer J, van Gunsteren WF, Krüger P. Daura X, et al. Among authors: van gunsteren wf. Eur Biophys J. 2003 Dec;32(8):661-70. doi: 10.1007/s00249-003-0303-1. Epub 2003 Sep 16. Eur Biophys J. 2003. PMID: 13680207

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