van Gunsteren WF - Search Results

1

Biomolecular modeling: Goals, problems, perspectives.

van Gunsteren WF, Bakowies D, Baron R, Chandrasekhar I, Christen M, Daura X, Gee P, Geerke DP, Glättli A, Hünenberger PH, Kastenholz MA, Oostenbrink C, Schenk M, Trzesniak D, van der Vegt NF, Yu HB. van Gunsteren WF, et al. Among authors: van der vegt nf. Angew Chem Int Ed Engl. 2006 Jun 19;45(25):4064-92. doi: 10.1002/anie.200502655. Angew Chem Int Ed Engl. 2006. PMID: 16761306 Review.

2

Free energies of binding of polychlorinated biphenyls to the estrogen receptor from a single simulation.

Oostenbrink C, van Gunsteren WF. Oostenbrink C, et al. Among authors: van gunsteren wf. Proteins. 2004 Feb 1;54(2):237-46. doi: 10.1002/prot.10558. Proteins. 2004. PMID: 14696186

3

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: van gunsteren wf. J Comput Chem. 2005 Dec;26(16):1719-51. doi: 10.1002/jcc.20303. J Comput Chem. 2005. PMID: 16211540

4

Force field evaluation for biomolecular simulation: free enthalpies of solvation of polar and apolar compounds in various solvents.

Geerke DP, van Gunsteren WF. Geerke DP, et al. Among authors: van gunsteren wf. Chemphyschem. 2006 Mar 13;7(3):671-8. doi: 10.1002/cphc.200500510. Chemphyschem. 2006. PMID: 16514695

5

Calculation of the free energy of polarization: quantifying the effect of explicitly treating electronic polarization on the transferability of force-field parameters.

Geerke DP, van Gunsteren WF. Geerke DP, et al. Among authors: van gunsteren wf. J Phys Chem B. 2007 Jun 14;111(23):6425-36. doi: 10.1021/jp0706477. Epub 2007 May 18. J Phys Chem B. 2007. PMID: 17508737

6

On searching in, sampling of, and dynamically moving through conformational space of biomolecular systems: A review.

Christen M, van Gunsteren WF. Christen M, et al. Among authors: van gunsteren wf. J Comput Chem. 2008 Jan 30;29(2):157-66. doi: 10.1002/jcc.20725. J Comput Chem. 2008. PMID: 17570138 Review.

7

Biomolecular structure refinement based on adaptive restraints using local-elevation simulation.

Christen M, Keller B, van Gunsteren WF. Christen M, et al. Among authors: van gunsteren wf. J Biomol NMR. 2007 Dec;39(4):265-73. doi: 10.1007/s10858-007-9194-2. Epub 2007 Oct 11. J Biomol NMR. 2007. PMID: 17929172

8

New functionalities in the GROMOS biomolecular simulation software.

Kunz AP, Allison JR, Geerke DP, Horta BA, Hünenberger PH, Riniker S, Schmid N, van Gunsteren WF. Kunz AP, et al. Among authors: van gunsteren wf. J Comput Chem. 2012 Jan 30;33(3):340-53. doi: 10.1002/jcc.21954. Epub 2011 Nov 11. J Comput Chem. 2012. PMID: 22076815

9

Deriving Structural Information from Experimentally Measured Data on Biomolecules.

van Gunsteren WF, Allison JR, Daura X, Dolenc J, Hansen N, Mark AE, Oostenbrink C, Rusu VH, Smith LJ. van Gunsteren WF, et al. Angew Chem Int Ed Engl. 2016 Dec 23;55(52):15990-16010. doi: 10.1002/anie.201601828. Epub 2016 Nov 8. Angew Chem Int Ed Engl. 2016. PMID: 27862777 Review.

10

The Key to Solving the Protein-Folding Problem Lies in an Accurate Description of the Denatured State Financial support from the Schweizerischer Nationalfonds (Project no. 21-50929.97) is gratefully acknowledged.

van Gunsteren WF, Bürgi R, Peter C, Daura X. van Gunsteren WF, et al. Angew Chem Int Ed Engl. 2001 Jan 19;40(2):351-355. Angew Chem Int Ed Engl. 2001. PMID: 11180322 No abstract available.

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