Mark AE - 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: mark ae. 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

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: mark ae. Proteins. 2002 Feb 1;46(2):215-24. doi: 10.1002/prot.1166. Proteins. 2002. PMID: 11807950

3

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

4

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

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

5

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: mark ae. Proteins. 1995 Mar;21(3):196-213. doi: 10.1002/prot.340210303. Proteins. 1995. PMID: 7784424

6

Solvent structure at a hydrophobic protein surface.

Kovacs H, Mark AE, van Gunsteren WF. Kovacs H, et al. Among authors: mark ae. 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

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: mark ae. J Mol Biol. 1998 Jul 31;280(5):925-32. doi: 10.1006/jmbi.1998.1885. J Mol Biol. 1998. PMID: 9671560

8

The effect of motional averaging on the calculation of NMR-derived structural properties.

Daura X, Antes I, van Gunsteren WF, Thiel W, Mark AE. Daura X, et al. Among authors: mark ae. Proteins. 1999 Sep 1;36(4):542-55. Proteins. 1999. PMID: 10450095 Free article.

9

On the temperature and pressure dependence of a range of properties of a type of water model commonly used in high-temperature protein unfolding simulations.

Walser R, Mark AE, van Gunsteren WF. Walser R, et al. Among authors: mark ae. Biophys J. 2000 Jun;78(6):2752-60. doi: 10.1016/S0006-3495(00)76820-2. Biophys J. 2000. PMID: 10827960 Free PMC article.

10

Entropy calculations on a reversibly folding peptide: changes in solute free energy cannot explain folding behavior.

Schäfer H, Daura X, Mark AE, van Gunsteren WF. Schäfer H, et al. Among authors: mark ae. Proteins. 2001 Apr 1;43(1):45-56. doi: 10.1002/1097-0134(20010401)43:1<45::aid-prot1016>3.0.co;2-n. Proteins. 2001. PMID: 11170213

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