Total 224 results found.
Tag: All Publications Ordering
Stjernschantz E., Vermeulen N.P., Oostenbrink C. Computational prediction of drug binding and rationalisation of selectivity towards Cytochromes P450. Expert Opin. Drug Metab. Toxicol. 4 (2008) pp: 513-527. Pubmed

Urinary lipid and protein oxidation products upon halothane, isoflurane, or sevoflurane anesthesia in humans: potential biomarkers for a subclinical nephrotoxicity. Orhan H, Sahin A, Sahin G, Aypar U, Vermeulen NP. Biomarkers. 2013 Feb;18(1): 73-81. doi: 10.3109/1354750X.2012.737026. Epub 2012 Nov 9. Pubmed  

Towards automated binding affinity prediction using an iterative linear interaction energy approach. Vosmeer CR, Pool R, Van Stee MF, Peric-Hassler L, Vermeulen NP, Geerke DP. Int J Mol Sci. 2014 Jan 9;15(1):798-816. doi: 10.3390/ijms15010798. Pubmed

Damsten M, Commandeur JNM, Fidder A, Hulst AG, Touw D, Noort D, Vermeulen NPE. LC-Tandem MS Detection of Covalent Binding of Acetaminophen to Human Serum Albumin. Drug Metab Dispos. 2007, 35 (8), 1408-17. PubMed
Feenstra KA, Starikov EB, Urlacher VB, Commandeur JN, Vermeulen NPE. Combining substrate dynamics, binding statistics, and energy barriers to rationalize regioselective hydroxylation of octane and lauric acid by CYP102A1 and mutants. Protein Sci. 2007 Mar; 16(3): 420-31.PubMed
de Graaf C, Oostenbrink C, Keizers PH, van Vugt-Lussenburg BM, Commandeur JN, Vermeulen NPE. Free energies of binding of R- and S-propranolol to wild-type and F483A mutant cytochrome P450 2D6 from molecular dynamics simulations. Eur Biophys J. 2007 Feb 27; [Epub ahead of print]. PubMed
Kool J, van Liempd SM, van Rossum H, van Elswijk DA, Irth H, Commandeur JN, Vermeulen NPE. Development of three parallel cytochrome P450 enzyme affinity detection systems coupled on-line to gradient high-performance liquid chromatography. Drug Metab Dispos. 2007 Apr; 35(4): 640-8. PubMed
Martinez-Cabot A, Morato A, Commandeur JNM, Vermeulen NPE and Messeguer A. In vitro bioactivation of Toxic Oil by human and rat liver microsomes and recombinant human Cytochromes P450. Chem. Res. Toxicol, 2007, 20, 1218-24.

K. Anton Feenstra†, Chris de Graaf† and Nico P.E. Vermeulen. Cytochrome P450 Protein Modeling and Ligand Docking. In: Drug-drug Interactions, Editor: D. Rodrigues, Marcel Dekker Inc. New York, 2007, in press.

Kool J., van Marle A., Hulscher S., Selman M., van Iperen D.J., van Altena K., Gillard M., Bakker R.A., Irth H., Leurs R., Vermeulen N.P.E. A Flow-through fluorescence polarization detection system for measuring GPCR-mediated modulation of c-AMP production. J. Biomol. Screen 12 (2007) pp: 1074-1083. Pubmed
Martinez-Cabot A., Morató A., Commandeur J.N.M., Vermeulen N.P.E., Messeguer A. In vitro bioactivation of 3-(N-Phenylamino)propane-1,2-diol by human and rat liver microsomes and recombinant P450 enzymes. Implications for toxic oil syndrome. Chem. Res. Toxicol, 20 (2007) pp: 1218-1224. Pubmed
Stjernschantz E., van Vugt-Lussenburg B.M., Bonifacio A., de Beer S.B., van der Zwan G., Gooijer C., Commandeur J.N.M., Vermeulen N.P.E., Oostenbrink C. Structural rationalization of novel drug metabolizing mutants of cytochrome P450 BM3. Proteins 71 (2007) pp: 336-352. Pubmed
Van Gunsteren W.F., Geerke D.P., Trzesniak D., Oostenbrink C., van der Vegt N.F. Analysis of the driving forces for biomolecular solvation and association. Proc. Italian School of Physics "Enrico Fermi", Course CLXV, R.A. Broglia, L. Serrano and G. Tiana (Eds.), IOS Press Amsterdam - SIF, Bologna (2007) pp: 177 – 191.
Kool J., Eggink M., van Rossum H, van Liempd S.M., van Elswijk D.A., Irth H., Commandeur J.N.M., Meerman J.H., Vermeulen N.P.E. Online biochemical detection of glutathione-S-transferase P1-specific inhibitors in complex mixtures. J. Biomol. Screen. 12 (2007) pp: 396-405. Pubmed
van Vugt-Lussenburg B.M.A., Stjernschantz E., Lastdrager J., Oostenbrink C., Vermeulen, N.P.E., Commandeur J.N.M. Identification of critical residues in novel drug metabolizing mutants of Cytochrome P450 BM3 using random mutagenesis. J. Med. Chem. 50 (2007) pp: 455 – 461. Pubmed
Keller B., Christen M., Oostenbrink C., van Gunsteren W.F. On using oscillating time-dependent restraints in MD simulation. J. Biomol. NMR 37 (2007) pp: 1 – 14. Pubmed
de Graaf C., Oostenbrink C., Keizers P., van Vugt-Lussenburg B.M.A., van Waterschoot R., Tschirret-Guth R., Commandeur J.N.M., Vermeulen N.P.E Molecular modeling-guided site-directed mutagenesis of cytochrome P450 2D6. Curr. Drug. Metab. 8 (2007) pp: 59 – 77. Pubmed
Feenstra K.A., Starikov E.B., Urlacher V.B., Commandeur J.N.M., Vermeulen N.P.E. Combining substrate dynamics, binding statistics, and energy barriers to rationalize regioselective hydroxylation of octane and lauric acid by CYP102A1 and mutants. Protein Sci. 16 (2007) pp: 420-431. Pubmed
Bonifacio A., Keizers P.H.J., Vermeulen N.P.E., Commandeur J.N.M., Gooijer C., van der Zwan G. Surface-enhanced resonance Raman scattering of cytochrome P450-2D6 on coated silver hydrosols. Langmuir 23 (2007) pp: 1860-1866. Pubmed
Kool J., van Liempd S.M., van Rossum H., van Elswijk D.A., Irth H., Commandeur J.N.M., Vermeulen N.P.E. Development of three parallel cytochrome P450 enzyme affinity detection systems coupled on-line to gradient high-performance liquid chromatography. Drug Metab. Dispos. 35 (2007) pp: 640-648. Pubmed
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