Total 12 results found.
Tag: 2010 Ordering
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.