Flemming Steen Jørgensen

Flemming Steen Jørgensen

Professor


  1. Published

    Virtual screening and prediction of site of metabolism for cytochrome P450 1A2 ligands. / Poongavanam, Vasanthanathan; Hritz, Jozef; Taboureau, Olivier; Olsen, Lars; Jørgensen, Flemming Steen; Vermeulen, Nico P E; Oostenbrink, Chris.

    In: Journal of Chemical Information and Modeling, Vol. 49, No. 1, 2009, p. 43-52.

    Research output: Contribution to journalJournal articleResearchpeer-review

  2. Published

    Classification of cytochrome P450 1A2 inhibitors and noninhibitors by machine learning techniques. / Poongavanam, Vasanthanathan; Taboureau, Olivier; Oostenbrink, Chris; Vermeulen, Nico P E; Olsen, Lars; Jørgensen, Flemming Steen.

    In: Drug Metabolism and Disposition, Vol. 37, No. 3, 2009, p. 658-664.

    Research output: Contribution to journalJournal articleResearchpeer-review

  3. Published

    Identification of CYP1A2 ligands by structure-based and ligand-based virtual screening. / Poongavanam, Vasanthanathan; Lastdrager, Jeroen; Oostenbrink, Chris ; Commandeur, Jan N M; Vermeulen, Nico P E; Jørgensen, Flemming Steen; Olsen, Lars.

    In: MedChemComm, Vol. 2, No. 9, 2011, p. 853-859.

    Research output: Contribution to journalJournal articleResearchpeer-review

  4. Published

    A robust force field based method for calculating conformational energies of charged drug-like molecules. / Pøhlsgaard, Jacob; Harpsøe, Kasper; Jørgensen, Flemming Steen; Olsen, Lars.

    In: Journal of Chemical Information and Modeling, Vol. 52, No. 2, 2012, p. 409-419.

    Research output: Contribution to journalJournal articleResearchpeer-review

  5. Published

    Use of density functional theory in drug metabolism studies. / Rydberg, Patrik; Jørgensen, Flemming Steen; Olsen, Lars.

    In: Expert Opinion on Drug Metabolism & Toxicology, Vol. 10, No. 2, 02.2014, p. 215-27.

    Research output: Contribution to journalJournal articleResearchpeer-review

  6. Published

    A steered molecular dynamics study of binding and translocation processes in the GABA transporter. / Skovstrup, Søren; David, Laurent; Taboureau, Olivier; Jørgensen, Flemming Steen.

    In: P L o S One, Vol. 7, No. 6, 2012, p. e39360.

    Research output: Contribution to journalJournal articleResearchpeer-review

  7. Published

    Homology modelling of the GABA transporter and analysis of tiagabine binding. / Skovstrup, Søren; Taboureau, Olivier; Bräuner-Osborne, Hans; Jørgensen, Flemming Steen.

    In: ChemMedChem, Vol. 5, No. 7, 2010, p. 986-1000.

    Research output: Contribution to journalJournal articleResearchpeer-review

  8. Published

    Isolation of a library of aromadendranes from Landolphia dulcis and its characterization using the VolSurf approach. / Staerk, Dan; Skole, Brian; Jørgensen, Flemming Steen; Budnik, Bogdan A; Ekpe, Patrick; Jaroszewski, Jerzy W.

    In: Journal of Natural Products, Vol. 67, No. 5, 2004, p. 799-805.

    Research output: Contribution to journalJournal articleResearchpeer-review

  9. Published

    Enantioselective endocrine disrupting effects of omeprazole studied in the H295R cell assay and by molecular modeling. / Sørensen, Amalie Møller; Hansen, Cecilie Hurup; Bonomo, Silvia; Olsen, Lars; Jørgensen, Flemming Steen; Weisser, Johan Juhl; Kretschmann, Andreas Christopher; Styrishave, Bjarne.

    In: Toxicology in Vitro, Vol. 34, 19.03.2016, p. 71-80.

    Research output: Contribution to journalJournal articleResearchpeer-review

  10. Published

    In silico predictions of hERG channel blockers in drug discovery : from ligand-based and target-based approaches to systems chemical biology. / Taboureau, Olivier; Jørgensen, Flemming Steen.

    In: Combinatorial Chemistry & High Throughput Screening, Vol. 14, No. 5, 06.2011, p. 375-387.

    Research output: Contribution to journalJournal articleResearchpeer-review

ID: 1302104