Total 224 results found.
Tag: All Publications Ordering
Reinen J, Ferman S, Vottero E, Vermeulen NPE, Commandeur JNM (2011) Application of a fluorescence-based continuous-flow Bioassay to screen for diversity of Cytochrome BM3 Mutant Libraries. J Biomol Screen, 16, 239-250.
N.E. Franke, D. Niewerth, Y.G. Assaraf, J. van Meerloo, K. Vojtekova, C.H. van Zantwijk, S. Zweegman, E.T. Chan, C.J. Kirk, D.P. Geerke, A.D. Schimmer, G.J.L. Kaspers, G. Jansen and J. Cloos "Impaired bortezomib binding to mutant β5 subunit of the proteasome is the underlying basis for bortezomib resistance in leukemia cells" Leukemia 2011, DOI: 10.1038/leu.2011.256
de Beer SB, Vermeulen NPE, Oostenbrink C. [2010]: The role of water molecules in Computational Drug Design. Curr. Top. Med Chem, 10, 55-66.
Brito Palma B, Silva e Sousa M, Vosmeer CR, Lastdrager J, Rueff J, Vermeulen NPE, Kranendonk M. [2010]: Functional characterization of eight human cytochrome P450 1A2 gene variants by recombinant protein expression. The Pharmacogen. J, 1-11.
Dragovic S, Boerma JS, van Bergen L, Vermeulen NP, Commandeur JN. [2010]. Role of human Glutathione S-transferases in the inactivation of reactive metabolites of Clozapine. Chem Res Toxicol., 23 (9): 1467-76. PubMed
Geerke DP, v Gunsteren WF, Hünenberger PhH. (2010) Molecular dynamics simulations of the interaction between polyhydroxylated compounds and Lennard-Jones walls: preferential affinity/exclusion effects and their relevance for bioprotection. Mol Simul, 36 (9): 708-728.
Reinen J, Suter MJF, Vögeli AC, Fernandez MF, Kiviranta H, Eggen RIL, Vermeulen NPE. (2010). Endocrinne disrupting chemicals-Linking internal exposure to vitellogenin levels and ovotestis in Abramis brama from Dutch surface waters. ETAP, 30, 208-223.
Stjernschantz E, Reinen J, Meinl W, George BJ, Glatt H, Vermeulen NP, Oostenbrink C. [2010]: Comparison of murine and human estrogen sulfotransferase inhibition in vitro and in silico--implications for differences in activity, subunit dimerization and substrate inhibition. Mol Cell Endocrinol. 317:127-40. PubMed
Vasanthanathan P, Olsen L, Jørgensen FS, Vermeulen NP, Oostenbrink C. [2010]: Computational prediction of binding affinity for CYP1A2-ligand complexes using empirical free energy calculations. Drug Metab Dispos. 38 (8): 1347-54. PubMed
Venaläinen T, Molnár F, Oostenbrink C, Carlberg C, Peräkylä M. [2010]: Molecular mechanism of allosteric communication in the human PAR-RXR heterodimer. Proteins. 873-887
J. Hritz, T. Läppchen, C. Oostenbrink Calculations of binding affinity between C8-substituted GTP analogs and the bacterial cell-division protein FtsZ Eur. Biophys. J. 29 (2010) 1573 - 1580
E. Stjernschantz, and C. Oostenbrink Improved ligand-protein binding affinity predictions using multiple binding modes Biophys. J. 98 (2010) 2682 - 2691
R. Santos, J. Hritz and C. Oostenbrink The role of water in molecular docking simulations of Cytochrome P450 2D6 J. Chem. Inf. Model 50 (2010) 146 - 154
de Vlieger JS, Kolkman AJ, Ampt KA, Commandeur JN, Vermeulen NP, Kool J, Wijmenga SS, Niessen WM, Irth H, Honing M. [2010]: Determination and identification of estrogenic compounds generated with biosynthetic enzymes using hyphenated screening assays, high resolution mass spectrometry and off-line NMR. J Chromatogr B Analyt Technol Biomed Life Sci. 878: 667-74.
Damsten, M.C.. Bioactivation of Drugs by Cytochromes P450. New Tools and Concepts for the Characterization of Reactive Metabolites of Drugs. VU University Amsterdam. Prom./coprom.: prof. dr. N.P.E. Vermeulen & dr. J.N.M. Commandeur.
Appiah Opong, R.. Drug Biotransformation Enzyme Interactions Studies with Curcumin, Curcumin analogues and other Plant0derived Components. VU University Amsterdam. Prom./coprom.: prof. dr. N.P.E. Vermeulen & dr. J.N.M. Commandeur.
Appiah-Opong R, Commandeur JNM, Istyastono E, Bogaards JJ, Vermeulen NPE. [2009]: Inhibition of human glutathione S-transferases by curcumin and analogues. Xenobiotica 39/4, 302-311.
Geerke DP, Luber S, Marti K.H., van Gunsteren W.F. [2009]: On the direct calculation of the free energy of quantization for molecular systems in the condensed phase. J Comput Chem, 30 (4), 514-23.
J Hritz, . Oostenbrink Ch. [2009]: Efficient free energy calculations for compounds with multiple stable conformations separated by high energy barriers. J Psych chem. 113, 12711-12720.
Oostenbrink Ch. [2009]: Efficient Free Energy Calculations on Small Molecule Host-Guest Systems. A Combined Linear Interaction Energy / One-Step Perturbation Approach. J Comput Chem. 30, 212-221.
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