Mark AE - Search Results

1

Definition and testing of the GROMOS force-field versions 54A7 and 54B7.

Schmid N, Eichenberger AP, Choutko A, Riniker S, Winger M, Mark AE, van Gunsteren WF. Schmid N, et al. Among authors: mark ae. Eur Biophys J. 2011 Jul;40(7):843-56. doi: 10.1007/s00249-011-0700-9. Epub 2011 Apr 30. Eur Biophys J. 2011. PMID: 21533652

2

A biomolecular force field based on the free enthalpy of hydration and solvation: the GROMOS force-field parameter sets 53A5 and 53A6.

Oostenbrink C, Villa A, Mark AE, van Gunsteren WF. Oostenbrink C, et al. Among authors: mark ae. J Comput Chem. 2004 Oct;25(13):1656-76. doi: 10.1002/jcc.20090. J Comput Chem. 2004. PMID: 15264259

3

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

4

Molecular simulation as an aid to experimentalists.

van Gunsteren WF, Dolenc J, Mark AE. van Gunsteren WF, et al. Among authors: mark ae. Curr Opin Struct Biol. 2008 Apr;18(2):149-53. doi: 10.1016/j.sbi.2007.12.007. Epub 2008 Feb 14. Curr Opin Struct Biol. 2008. PMID: 18280138 Review.

5

Basic ingredients of free energy calculations: a review.

Christ CD, Mark AE, van Gunsteren WF. Christ CD, et al. Among authors: mark ae. J Comput Chem. 2010 Jun;31(8):1569-82. doi: 10.1002/jcc.21450. J Comput Chem. 2010. PMID: 20033914 Review.

6

Comparison of enveloping distribution sampling and thermodynamic integration to calculate binding free energies of phenylethanolamine N-methyltransferase inhibitors.

Riniker S, Christ CD, Hansen N, Mark AE, Nair PC, van Gunsteren WF. Riniker S, et al. Among authors: mark ae. J Chem Phys. 2011 Jul 14;135(2):024105. doi: 10.1063/1.3604534. J Chem Phys. 2011. PMID: 21766923

7

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: mark ae. Chemphyschem. 2021 Feb 3;22(3):264-282. doi: 10.1002/cphc.202000968. Epub 2020 Dec 30. Chemphyschem. 2021. PMID: 33377305 Review.

8

Prediction of the activity and stability effects of site-directed mutagenesis on a protein core.

van Gunsteren WF, Mark AE. van Gunsteren WF, et al. Among authors: mark ae. J Mol Biol. 1992 Sep 20;227(2):389-95. doi: 10.1016/0022-2836(92)90895-q. J Mol Biol. 1992. PMID: 1404360

9

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

10

On the interpretation of biochemical data by molecular dynamics computer simulation.

van Gunsteren WF, Mark AE. van Gunsteren WF, et al. Among authors: mark ae. Eur J Biochem. 1992 Mar 15;204(3):947-61. doi: 10.1111/j.1432-1033.1992.tb16716.x. Eur J Biochem. 1992. PMID: 1551395 Free article. Review.

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

215 results

Search Page

Filters