Feenstra KA - Search Results

1

A comparison of methods for calculating NMR cross-relaxation rates (NOESY and ROESY intensities) in small peptides.

Feenstra KA, Peter C, Scheek RM, van Gunsteren WF, Mark AE. Feenstra KA, et al. J Biomol NMR. 2002 Jul;23(3):181-94. doi: 10.1023/a:1019854626147. J Biomol NMR. 2002. PMID: 12238590

2

Molecular modeling of the RNA binding N-terminal part of cowpea chlorotic mottle virus coat protein in solution with phosphate ions.

van der Spoel D, Feenstra KA, Hemminga MA, Berendsen HJ. van der Spoel D, et al. Among authors: feenstra ka. Biophys J. 1996 Dec;71(6):2920-32. doi: 10.1016/S0006-3495(96)79493-6. Biophys J. 1996. PMID: 8968565 Free PMC article.

3

Improving efficiency of large time-scale molecular dynamics simulations of hydrogen-rich systems.

Feenstra KA, Hess B, Berendsen HJC. Feenstra KA, et al. J Comput Chem. 1999 Jun;20(8):786-798. doi: 10.1002/(SICI)1096-987X(199906)20:8<786::AID-JCC5>3.0.CO;2-B. J Comput Chem. 1999. PMID: 35619462

4

Enantioselective substrate binding in a monooxygenase protein model by molecular dynamics and docking.

Feenstra KA, Hofstetter K, Bosch R, Schmid A, Commandeur JN, Vermeulen NP. Feenstra KA, et al. Biophys J. 2006 Nov 1;91(9):3206-16. doi: 10.1529/biophysj.106.088633. Epub 2006 Aug 11. Biophys J. 2006. PMID: 16905618 Free PMC article.

5

Enabling grand-canonical Monte Carlo: extending the flexibility of GROMACS through the GromPy python interface module.

Pool R, Heringa J, Hoefling M, Schulz R, Smith JC, Feenstra KA. Pool R, et al. Among authors: feenstra ka. J Comput Chem. 2012 May 5;33(12):1207-14. doi: 10.1002/jcc.22947. Epub 2012 Feb 28. J Comput Chem. 2012. PMID: 22370965

6

Combining substrate dynamics, binding statistics, and energy barriers to rationalize regioselective hydroxylation of octane and lauric acid by CYP102A1 and mutants.

Feenstra KA, Starikov EB, Urlacher VB, Commandeur JN, Vermeulen NP. Feenstra KA, et al. Protein Sci. 2007 Mar;16(3):420-31. doi: 10.1110/ps.062224407. Protein Sci. 2007. PMID: 17322527 Free PMC article.

7

Cytochrome p450 in silico: an integrative modeling approach.

de Graaf C, Vermeulen NP, Feenstra KA. de Graaf C, et al. Among authors: feenstra ka. J Med Chem. 2005 Apr 21;48(8):2725-55. doi: 10.1021/jm040180d. J Med Chem. 2005. PMID: 15828810 Review. No abstract available.

8

Metabolic regio- and stereoselectivity of cytochrome P450 2D6 towards 3,4-methylenedioxy-N-alkylamphetamines: in silico predictions and experimental validation.

Keizers PH, de Graaf C, de Kanter FJ, Oostenbrink C, Feenstra KA, Commandeur JN, Vermeulen NP. Keizers PH, et al. Among authors: feenstra ka. J Med Chem. 2005 Sep 22;48(19):6117-27. doi: 10.1021/jm050338+. J Med Chem. 2005. PMID: 16162012

9

Sequence harmony: detecting functional specificity from alignments.

Feenstra KA, Pirovano W, Krab K, Heringa J. Feenstra KA, et al. Nucleic Acids Res. 2007 Jul;35(Web Server issue):W495-8. doi: 10.1093/nar/gkm406. Epub 2007 Jun 21. Nucleic Acids Res. 2007. PMID: 17584793 Free PMC article.

10

Coarse-grained versus atomistic simulations: realistic interaction free energies for real proteins.

May A, Pool R, van Dijk E, Bijlard J, Abeln S, Heringa J, Feenstra KA. May A, et al. Among authors: feenstra ka. Bioinformatics. 2014 Feb 1;30(3):326-34. doi: 10.1093/bioinformatics/btt675. Epub 2013 Nov 22. Bioinformatics. 2014. PMID: 24273239

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