Flemming Steen Jørgensen

Flemming Steen Jørgensen

Professor


  1. 2015
  2. Published

    Salt-bridge Swapping in the EXXERFXYY Motif of Proton Coupled Oligopeptide Transporters. / Aduri, Nanda G; Prabhala, Bala K; Ernst, Heidi A; Jørgensen, Flemming S; Olsen, Lars; Mirza, Osman.

    In: The Journal of Biological Chemistry, Vol. 290, No. 50, 2015, p. 29931-29940.

    Research output: Contribution to journalJournal articleResearchpeer-review

  3. Published

    Density functional theory study on the formation of reactive benzoquinone imines by hydrogen abstraction. / Leth, Rasmus; Rydberg, Patrik; Jørgensen, Flemming Steen; Olsen, Lars.

    In: Journal of Chemical Information and Modeling, Vol. 55, No. 3, 23.03.2015, p. 660-6.

    Research output: Contribution to journalJournal articleResearchpeer-review

  4. Published

    Prediction of cytochrome P450 mediated metabolism. / Olsen, Lars; Oostenbrink, Chris; Jørgensen, Flemming Steen.

    In: Advanced Drug Delivery Reviews, Vol. 86, 06.05.2015, p. 61-71.

    Research output: Contribution to journalJournal articleResearchpeer-review

  5. 2014
  6. Published

    Design of prodrugs targeting the intestinal di/tri‐peptide transporter hPEPT1 (SLC15A1. / Omkvist, Diana Højmark; Nielsen, Carsten Uhd; Steffansen, Bente; Larsen, Simon Birksø; Olsen, Lars; Jørgensen, Flemming Steen; Brodin, Birger.

    2014. Abstract from Meet the Experts: Transporter Conference- 2014, Budapest, Hungary.

    Research output: Contribution to conferenceConference abstract for conferenceResearchpeer-review

  7. 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

  8. 2012
  9. Published

    Synthesis and antiangiogenic activity of N-alkylated levamisole derivatives. / Hansen, Anders N.; Bendiksen, Christine D.; Sylvest, Lene; Friis, Tina; Stærk, Dan; Jørgensen, Flemming Steen; Olsen, Christian Adam; Houen, Gunnar.

    In: P L o S One, Vol. 7, No. 9, 2012.

    Research output: Contribution to journalJournal articleResearchpeer-review

  10. Published

    Prediction of pH-dependent aqueous solubility of druglike molecules. / Hansen, Niclas Tue; Kouskoumvekaki, Irene; Jørgensen, Flemming Steen; Brunak, Søren; Jónsdóttir, Svava Osk.

    In: Journal of Chemical Information and Modeling, Vol. 46, No. 6, 2012, p. 2601-2609.

    Research output: Contribution to journalJournal articleResearchpeer-review

  11. Published

    hERG classification model based on a combination of support vector machine method and GRIND descriptors. / Li, Qiyuan; Jørgensen, Flemming Steen; Oprea, Tudor; Brunak, Søren; Taboureau, Olivier.

    In: Molecular Pharmaceutics, Vol. 5, No. 1, 2012, p. 117-127.

    Research output: Contribution to journalJournal articleResearchpeer-review

  12. 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

  13. 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

  14. 2011
  15. 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

  16. 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

  17. Published

    G protein- and agonist-bound serotonin 5-HT2A receptor model activated by steered molecular dynamics simulations. / Ísberg, Vignir; Balle, Thomas; Sander, Tommy; Jørgensen, Flemming Steen; Gloriam, David Erik Immanuel.

    In: Journal of Chemical Information and Modeling, Vol. 51, No. 2, 28.02.2011, p. 315-325.

    Research output: Contribution to journalJournal articleResearchpeer-review

  18. 2010
  19. Published

    Mutational mapping and modeling of the binding site for (S)-citalopram in the human serotonin transporter. / Andersen, Jacob; Olsen, Lars; Hansen, Kasper Bø; Taboureau, Olivier; Jørgensen, Flemming Steen; Jørgensen, Anne Marie; Bang-Andersen, Benny; Egebjerg, Jan; Strømgaard, Kristian; Kristensen, Anders Skov.

    In: Journal of Biological Chemistry, Vol. 285, No. 3, 2010, p. 2051-2063.

    Research output: Contribution to journalJournal articleResearchpeer-review

  20. Published

    Biostructure-based drug design. / Jørgensen, Flemming Steen; Kastrup, Jette Sandholm.

    Textbook of drug design and discovery. ed. / Povl Krogsgaard-Larsen; Kristian Strømgaard; Ulf Madsen. 4. ed. Boca Raton : CRC Press, 2010. p. 29-42.

    Research output: Chapter in Book/Report/Conference proceedingBook chapterEducation

  21. Published

    Forbedret optagelse af lægemidler i organismen : computeren viser vejen. / Larsen, Simon Birksø; Jørgensen, Flemming Steen; Olsen, Lars.

    In: Dansk Kemi, Vol. 91, No. 6/7, 2010, p. 18-20.

    Research output: Contribution to journalJournal articleResearch

  22. Published

    A diversity optimized combinatorial library for the identification of Fc-fragment binding ligands. / Nielsen, Anders L; Jørgensen, Flemming Steen; Olsen, Lars; Christensen, Søren F; Benie, Andrew J; Bjørnholm, Thomas; St. Hilaire, Phaedria M.

    In: Biopolymers, Vol. 94, No. 2, 2010, p. 192-205.

    Research output: Contribution to journalJournal articleResearchpeer-review

  23. Published

    A quantitative structure-activity relationship for translocation of tripeptides via the human proton-coupled peptide transporter, hPEPT1 (SLC15A1). / Omkvist, Diana Højmark; Larsen, Simon Birksø; Nielsen, Carsten Uhd; Steffansen, Bente; Olsen, Lars; Jørgensen, Flemming Steen; Larsen, Birger Brodin.

    In: The AAPS Journal, Vol. 12, No. 3, 2010, p. 385-396.

    Research output: Contribution to journalJournal articleResearchpeer-review

  24. Published

    Computational prediction of binding affinity for CYP1A2-ligand complexes using empirical free energy calculations. / Poongavanam, Vasanthanathan; Olsen, Lars; Jørgensen, Flemming Steen; Vermeulen, Nico P E; Oostenbrink, Chris.

    In: Drug Metabolism and Disposition, Vol. 38, No. 8, 2010, p. 1347-1354.

    Research output: Contribution to journalJournal articleResearchpeer-review

  25. 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

  26. 2009
  27. Published

    Computeren er medicinalkemikerens arbejdshest. / Larsen, Simon Birksø; Olsen, Lars; Jørgensen, Flemming Steen.

    In: Lægemiddelforskning, 2009, p. 7-9.

    Research output: Contribution to journalJournal articleCommunication

  28. Published

    Discovery of ligands for the human intestinal di-/tripeptide transporter (hPEPT1) using af QSAR-assisted virtual screening strategy. / Larsen, Simon Birksø; Omkvist, Diana Højmark; Larsen, Birger Brodin; Nielsen, Carsten Uhd; Steffansen, Bente; Olsen, Lars; Jørgensen, Flemming Steen.

    In: ChemMedChem, Vol. 4, No. 9, 2009, p. 1439-1445.

    Research output: Contribution to journalJournal articleResearchpeer-review

  29. 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

  30. 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

  31. 2008
  32. Published

    Solvent diversity in polymorph screening. / Allesø, Morten; Van Der Berg, Franciscus Winfried J; Cornett, Claus; Jørgensen, Flemming Steen; Halling-Sørensen, Bent; Lopez de Diego, Heidi; Hovgaard, Lars; Aaltonen, Jaakko; Rantanen, Jukka Tapio.

    In: Journal of Pharmaceutical Sciences, Vol. 97, No. 6, 2008, p. 2145-2159.

    Research output: Contribution to journalJournal articleResearchpeer-review

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