van Gunsteren WF - Search Results

1

Flexible Boundaries for Multiresolution Solvation: An Algorithm for Spatial Multiscaling in Molecular Dynamics Simulations.

Szklarczyk OM, Bieler NS, Hünenberger PH, van Gunsteren WF. Szklarczyk OM, et al. Among authors: van gunsteren wf. J Chem Theory Comput. 2015 Nov 10;11(11):5447-63. doi: 10.1021/acs.jctc.5b00406. Epub 2015 Oct 15. J Chem Theory Comput. 2015. PMID: 26574333

2

Fluctuation and cross-correlation analysis of protein motions observed in nanosecond molecular dynamics simulations.

Hünenberger PH, Mark AE, van Gunsteren WF. Hünenberger PH, et al. Among authors: van gunsteren wf. J Mol Biol. 1995 Sep 29;252(4):492-503. doi: 10.1006/jmbi.1995.0514. J Mol Biol. 1995. PMID: 7563068

3

Investigation of protein unfolding and stability by computer simulation.

Van Gunsteren WF, Hünenberger PH, Kovacs H, Mark AE, Schiffer CA. Van Gunsteren WF, et al. Philos Trans R Soc Lond B Biol Sci. 1995 Apr 29;348(1323):49-59. doi: 10.1098/rstb.1995.0045. Philos Trans R Soc Lond B Biol Sci. 1995. PMID: 7770486

4

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

5

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

6

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: van gunsteren wf. Biophys J. 2000 Jun;78(6):2752-60. doi: 10.1016/S0006-3495(00)76820-2. Biophys J. 2000. PMID: 10827960 Free PMC article.

7

Comparison of different schemes to treat long-range electrostatic interactions in molecular dynamics simulations of a protein crystal.

Walser R, Hünenberger PH, van Gunsteren WF. Walser R, et al. Among authors: van gunsteren wf. Proteins. 2001 Jun 1;43(4):509-19. doi: 10.1002/prot.1062. Proteins. 2001. PMID: 11340666

8

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

9

Molecular dynamics simulations of a double unit cell in a protein crystal: volume relaxation at constant pressure and correlation of motions between the two unit cells.

Walser R, Hünenberger PH, van Gunsteren WF. Walser R, et al. Among authors: van gunsteren wf. Proteins. 2002 Aug 1;48(2):327-40. doi: 10.1002/prot.10143. Proteins. 2002. PMID: 12112700

10

Comparison of properties of Aib-rich peptides in crystal and solution: a molecular dynamics study.

Yu H, Ramseier M, Bürgi R, van Gunsteren WF. Yu H, et al. Among authors: van gunsteren wf. Chemphyschem. 2004 May 17;5(5):633-41. doi: 10.1002/cphc.200301026. Chemphyschem. 2004. PMID: 15179715

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