Hünenberger PH - Search Results

1

On the Effect of the Various Assumptions and Approximations used in Molecular Simulations on the Properties of Bio-Molecular Systems: Overview and Perspective on Issues.

van Gunsteren WF, Daura X, Fuchs PFJ, Hansen N, Horta BAC, Hünenberger PH, Mark AE, Pechlaner M, Riniker S, Oostenbrink C. van Gunsteren WF, et al. Among authors: hunenberger ph. Chemphyschem. 2021 Feb 3;22(3):264-282. doi: 10.1002/cphc.202000968. Epub 2020 Dec 30. Chemphyschem. 2021. PMID: 33377305 Review.

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. 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. Among authors: hunenberger ph. 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. Proteins. 1995 Mar;21(3):196-213. doi: 10.1002/prot.340210303. Proteins. 1995. PMID: 7784424

5

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: hunenberger ph. Proteins. 2001 Jun 1;43(4):509-19. doi: 10.1002/prot.1062. Proteins. 2001. PMID: 11340666

6

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: hunenberger ph. Proteins. 2002 Aug 1;48(2):327-40. doi: 10.1002/prot.10143. Proteins. 2002. PMID: 12112700

7

An improved nucleic acid parameter set for the GROMOS force field.

Soares TA, Hünenberger PH, Kastenholz MA, Kräutler V, Lenz T, Lins RD, Oostenbrink C, van Gunsteren WF. Soares TA, et al. Among authors: hunenberger ph. J Comput Chem. 2005 May;26(7):725-37. doi: 10.1002/jcc.20193. J Comput Chem. 2005. PMID: 15770662

8

Use of molecular dynamics in the design and structure determination of a photoinducible beta-hairpin.

Kräutler V, Aemissegger A, Hünenberger PH, Hilvert D, Hansson T, van Gunsteren WF. Kräutler V, et al. Among authors: hunenberger ph. J Am Chem Soc. 2005 Apr 6;127(13):4935-42. doi: 10.1021/ja044253u. J Am Chem Soc. 2005. PMID: 15796559

9

The GROMOS software for biomolecular simulation: GROMOS05.

Christen M, Hünenberger PH, Bakowies D, Baron R, Bürgi R, Geerke DP, Heinz TN, Kastenholz MA, Kräutler V, Oostenbrink C, Peter C, Trzesniak D, van Gunsteren WF. Christen M, et al. Among authors: hunenberger ph. J Comput Chem. 2005 Dec;26(16):1719-51. doi: 10.1002/jcc.20303. J Comput Chem. 2005. PMID: 16211540

10

Conformational and dynamical properties of disaccharides in water: a molecular dynamics study.

Pereira CS, Kony D, Baron R, Müller M, van Gunsteren WF, Hünenberger PH. Pereira CS, et al. Among authors: hunenberger ph. Biophys J. 2006 Jun 15;90(12):4337-44. doi: 10.1529/biophysj.106.081539. Epub 2006 Mar 31. Biophys J. 2006. PMID: 16581848 Free PMC article.

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