van Gunsteren WF - Search Results

1

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

2

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

3

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

4

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

5

Entropy calculations on the molten globule state of a protein: side-chain entropies of alpha-lactalbumin.

Schäfer H, Smith LJ, Mark AE, van Gunsteren WF. Schäfer H, et al. Among authors: van gunsteren wf. Proteins. 2002 Feb 1;46(2):215-24. doi: 10.1002/prot.1166. Proteins. 2002. PMID: 11807950

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

Simulation of the thermal denaturation of hen egg white lysozyme: trapping the molten globule state.

Mark AE, van Gunsteren WF. Mark AE, et al. Among authors: van gunsteren wf. Biochemistry. 1992 Sep 1;31(34):7745-8. doi: 10.1021/bi00149a001. Biochemistry. 1992. PMID: 1510961

8

Computational approaches to study protein unfolding: hen egg white lysozyme as a case study.

Hünenberger PH, Mark AE, van Gunsteren WF. Hünenberger PH, et al. Among authors: van gunsteren wf. Proteins. 1995 Mar;21(3):196-213. doi: 10.1002/prot.340210303. Proteins. 1995. PMID: 7784424

9

Solvent structure at a hydrophobic protein surface.

Kovacs H, Mark AE, van Gunsteren WF. Kovacs H, et al. Among authors: van gunsteren wf. Proteins. 1997 Mar;27(3):395-404. doi: 10.1002/(sici)1097-0134(199703)27:3<395::aid-prot7>3.0.co;2-c. Proteins. 1997. PMID: 9094741

10

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

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