Total 224 results found.
Tag: All Publications Ordering

Response to “The Path Forward on Endocrine Disruptors Requires Focus”. Autrup H, Barile F, Blaauboer BJ, Degen GH, Dekant W, Dietrich D, Domingo JL, Gori GB, Greim H, Hengstler JG, Kacew S, Marquardt H, Pelkonen O, Savolainen K, Vermeulen NP. Toxicol Sci.2016 Feb;149(2):273-4. Pubmed

CYP 2D6 Binding Affinity Predictions Using Multiple Ligand and Protein Conformations Perić-Hassler L, Stjernschantz E, Oostenbrink C, Geerke DP Int. J. Mol. Sci. 2013: 14(12): 24514-30.

Reconstitution of the interplay between cytochrome P450 and human glutathione S-transferases in clozapine metabolism in yeast. Vredenburg G, Vassell KP, Commandeur JN, Vermeulen NP, Vos JC. Tox. Lett. 2013 222: 247-56. Pubmed

AMAP, the alleged non-toxic isomer of acetaminophen, is toxic in rat and human liver. Hadi M, Dragovic S, van Swelm R, Herpers B, van de Water B, Russel FG, Commandeur JN, Groothuis GM. Arch Toxicol. 2013 Jan; 87(1):155-65. doi: 10.1007/s00204-012-0924-1. Epub 2012 Aug 23. Pubmed

QM/MM-Based Fitting of Atomic Polarizabilities for Use in Condensed-Phase Biomolecular Simulation Vosmeer CR, Rustenburg AS,  Rice JE, Horn HW, Swope WC, Geerke DP J. Chem. Theory Comput. 2012 DOI: 10.1021/ct300085z

Cytochrome P450 3A4 Inhibition by Ketoconazole: Tackling the Problem of Ligand Cooperativity Using Molecular Dynamics Simulations and Free-Energy Calculations Bren U, Oostenbrink BC J. Chem. Inf. Model., 2012, 52, 1573-1582 DOI:10.1021/ci300118x

The role of protein plasticity in computational rationalization studies on regioselectivity in testosterone hydroxylation by Cytochrome P450 BM3 mutants De Beer SB, van Bergen LA, Keijzer K, Rea V, Venkataraman H, Guerra CF, Bickelhaupt FM, Vermeulen NP, Commandeur JN, Geerke DP Curr. Drug Metab. 2012

Combination of biotransformation by P450 BM3 mutants with on-line post-column bioaffinity and mass spectrometric profiling as a novel strategy to diversify and characterize p38α kinase inhibitors; Vanina Rea , David Falck , Jeroen Kool , Frans J. J. de Kanter , Jan N. M. Commandeur , Nico P. E. Vermeulen , Wilfried M. A. Niessen and Maarten Honing ; Med. Chem. Commun., 2013,4, 371-377 DOI: 10.1039/C2MD20283B

Mass Spectrometric Characterization of Protein Adducts of Multiple P450-Dependent Reactive Intermediates of Diclofenac to Human Glutathione-S-transferase P1-1; Jan Simon Boerma , Sanja Dragovic , Nico P. E. Vermeulen , and Jan N. M. Commandeur; Chem. Res. Toxicol., 2012, 25 (11), pp 2532–2541DOI: 10.1021/tx300334w

Yeast as a humanized model organism for biotransformation-related toxicity Van Leeuwen JS, Vermeulen NP, Chris Vos. Curr. Drug Metab. 2012, Dec 1; 13(10): 1464-75. Pubmed

H. Venkataraman, S.B.A. de Beer, L.A.H. van Bergen, N. van Essen, D.P. Geerke, N.P.E. Vermeulen and J.N.M. Commandeur "A single active site mutation inverts stereoselectivity of 16-hydroxylation of testosterone catalyzed by engineered Cytochrome P450 BM3" Chem. Bio. Chem. 2012, DOI: 10.1002/cbic.201100750
S. Canzar, M. El-Kebir, R. Pool, K. Elbassioni, A.K. Malde, A.E. Mark, D.P. Geerke, L. Stougie and G.W. Klau "Charge Group Partitioning in Biomolecular Simulation" In: Lecture Notes on Computer Science: Research in Computational Molecular Biology, 16th Annual International RECOMB Conference, 2012; in press
Malleability and versatility of Cytochrome P450 aactive sites studied by molecular simulations Oostenbrink C, de Ruiter A, Hritz J, Vermeulen N Curr Drug Metab. 2011 dec 30

Mini-dialysis tubes as tools to prepare drug-protein adducts of P450-dependent reactive drug metabolites. Boerma J.S., Elias N.S., Vermeulen N.P., Commandeur J.N.  J Pharm Biomed Anal. 2014 Oct 31;103C: 17-25. doi: 10.1016/j.jpba.2014.10.025. [Epub ahead of print]

Effect of human glutathione S-transferase hGSTP1-1 polymorphism on the detoxification of reactive metabolites of clozapine, diclofenac and acetaminophen. Dragovic S., Venkataraman H., Begheijn S., Vermeulen N.P., Commandeur J.N. Toxicol Lett. 2014 Jan 13; 224(2): 272-81. doi: 10.1016/j.toxlet.2013.10.023. Epub 2013 Oct 31.


Mutation in KERA identified by linkage analysis and targeted resequencing in a pedigree with premature atherosclerosis. Maiwald S., Sivapalaratnam S., Motazacker M.M., van Capelleveen J.C., Bot I., de Jager S.C., van Eck M., Jolley J., Kuiper J., Stephens J., Albers C.A., Vosmeer C.R., Kruize H., Geerke D.P., van der Wal A.C., van der Loos C.M., Kastelein J.J., Trip M.D., Ouwehand W.H., Dallinga-Thie G.M., Hovingh G.K. PLoS One. 2014 May 30; 9(5): e98289. doi: 10.1371/journal.pone.0098289. eCollection 2014.


Genetic Control and Evolution of Anthocyanin Methylation. Provenzano S., Spelt C., Hosokawa S., Nakamura N., Brugliera F., Demelis L., Geerke D.P., Schubert A., Tanaka Y., Quattrocchio F., Koes R. Plant Physiol. 2014 May 15; 165(3): 962-977. [Epub ahead of print]


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