Mark AE - Search Results

1

How sensitive are nanosecond molecular dynamics simulations of proteins to changes in the force field?

Villa A, Fan H, Wassenaar T, Mark AE. Villa A, et al. Among authors: mark ae. J Phys Chem B. 2007 May 31;111(21):6015-25. doi: 10.1021/jp068580v. Epub 2007 May 10. J Phys Chem B. 2007. PMID: 17489626

2

Investigation of the mechanism of domain closure in citrate synthase by molecular dynamics simulation.

Roccatano D, Mark AE, Hayward S. Roccatano D, et al. Among authors: mark ae. J Mol Biol. 2001 Jul 27;310(5):1039-53. doi: 10.1006/jmbi.2001.4808. J Mol Biol. 2001. PMID: 11501994

3

Folding and stability of the three-stranded beta-sheet peptide Betanova: insights from molecular dynamics simulations.

Colombo G, Roccatano D, Mark AE. Colombo G, et al. Among authors: mark ae. Proteins. 2002 Mar 1;46(4):380-92. doi: 10.1002/prot.1175. Proteins. 2002. PMID: 11835513

4

Calculation of the free energy of solvation for neutral analogs of amino acid side chains.

Villa A, Mark AE. Villa A, et al. Among authors: mark ae. J Comput Chem. 2002 Apr 15;23(5):548-53. doi: 10.1002/jcc.10052. J Comput Chem. 2002. PMID: 11948581

5

Molecular dynamics simulations of mixed micelles modeling human bile.

Marrink SJ, Mark AE. Marrink SJ, et al. Among authors: mark ae. Biochemistry. 2002 Apr 30;41(17):5375-82. doi: 10.1021/bi015613i. Biochemistry. 2002. PMID: 11969397 Free article.

6

Molecular dynamics study of the folding of hydrophobin SC3 at a hydrophilic/hydrophobic interface.

Zangi R, de Vocht ML, Robillard GT, Mark AE. Zangi R, et al. Among authors: mark ae. Biophys J. 2002 Jul;83(1):112-24. doi: 10.1016/S0006-3495(02)75153-9. Biophys J. 2002. PMID: 12080104 Free PMC article.

7

Understanding binding affinity: a combined isothermal titration calorimetry/molecular dynamics study of the binding of a series of hydrophobically modified benzamidinium chloride inhibitors to trypsin.

Talhout R, Villa A, Mark AE, Engberts JB. Talhout R, et al. Among authors: mark ae. J Am Chem Soc. 2003 Sep 3;125(35):10570-9. doi: 10.1021/ja034676g. J Am Chem Soc. 2003. PMID: 12940739

8

Relative stability of protein structures determined by X-ray crystallography or NMR spectroscopy: a molecular dynamics simulation study.

Fan H, Mark AE. Fan H, et al. Among authors: mark ae. Proteins. 2003 Oct 1;53(1):111-20. doi: 10.1002/prot.10496. Proteins. 2003. PMID: 12945054

9

Molecular dynamics simulation of the formation, structure, and dynamics of small phospholipid vesicles.

Marrink SJ, Mark AE. Marrink SJ, et al. Among authors: mark ae. J Am Chem Soc. 2003 Dec 10;125(49):15233-42. doi: 10.1021/ja0352092. J Am Chem Soc. 2003. PMID: 14653758

10

Refinement of homology-based protein structures by molecular dynamics simulation techniques.

Fan H, Mark AE. Fan H, et al. Among authors: mark ae. Protein Sci. 2004 Jan;13(1):211-20. doi: 10.1110/ps.03381404. Protein Sci. 2004. PMID: 14691236 Free PMC article.

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