Flemming Steen Jørgensen

Flemming Steen Jørgensen

Professor


  1. 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

  2. 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

  3. Published

    A new concept for multidimensional selection of ligand conformations (MultiSelect) and multidimensional scoring (MultiScore) of protein-ligand binding affinities. / Terp, G E; Johansen, B N; Christensen, I T; Jørgensen, Flemming Steen.

    In: Journal of Medicinal Chemistry, Vol. 44, No. 14, 2001, p. 2333-43.

    Research output: Contribution to journalJournal articleResearchpeer-review

  4. 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

  5. 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

  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

    Aldehyde Oxidase: Reaction Mechanism and Prediction of Site of Metabolism. / Montefiori, Marco; Jorgensen, Flemming Steen; Olsen, Lars.

    In: ACS Omega, Vol. 2, No. 8, 08.2017, p. 4237-4244.

    Research output: Contribution to journalJournal articleResearchpeer-review

  8. Published

    Assessing the relative importance of the biophysical properties of amino acid substitutions associated with human genetic disease. / Terp, Bent N; Cooper, David N; Christensen, Inge T; Jørgensen, Flemming Steen; Bross, Peter Gerd; Gregersen, Niels; Krawczak, Michael.

    In: Human Mutation, Vol. 20, No. 2, 2002, p. 98-109.

    Research output: Contribution to journalJournal articleResearchpeer-review

  9. 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

  10. 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

  11. 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

  12. Published

    Computational prediction of solubilizers' effect on partitioning. / Høst, Jan; Christensen, Inge Thøger; Jørgensen, Flemming Steen; Frøkjær, Sven; Hovgaard, Lars.

    In: Internation Journal of Pharmaceutics, Vol. 329, No. 1-2, 2007, p. 46-52.

    Research output: Contribution to journalJournal articleResearchpeer-review

  13. 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

  14. Published

    Computeren kan forudsige lægemidlers omdannelse. / Olsen, Lars; Bergmann, Rikke; Jørgensen, Flemming Steen.

    In: Lægemiddelforskning 2004, 2004.

    Research output: Contribution to journalJournal articleResearch

  15. Published

    Conformational restrictions in ligand binding to the human intestinal di-/tripeptide transporter : implications for design of hPEPT1 targeted prodrugs. / Våbenø, Jon; Nielsen, Carsten Uhd; Steffansen, Bente; Lejon, Tore; Sylte, Ingebrigt; Jørgensen, Flemming Steen; Luthman, Kristina.

    In: Bioorganic & Medicinal Chemistry, Vol. 13, No. 6, 2005, p. 1977-88.

    Research output: Contribution to journalJournal articleResearchpeer-review

  16. Published

    Cytochrome P450 Mediated Drug Metabolism. / Olsen, Lars; Jørgensen, Flemming Steen; Oostenbrink, Chris.

    New Horizons in Predictive Drug Metabolism and Pharmacokinetics. ed. / Alan G.E. Wilson. Cambridge : Royal Society of Chemistry, 2016. p. 66-78 (RSC Drug Discovery, Vol. 49).

    Research output: Chapter in Book/Report/Conference proceedingBook chapterResearchpeer-review

  17. 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

  18. 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

  19. Published

    Determination of protein conformation by isotopically labelled cross-linking and dedicated software: Application to the chaperone, calreticulin. / Nielsen, Tina; Thaysen-Andersen, Morten; Larsen, Nanna; Jørgensen, Flemming Steen; Houen, Gunnar; Højrup, Peter.

    In: International Journal of Mass Spectrometry, Vol. 268, No. 2-3, 2007, p. 217-226.

    Research output: Contribution to journalJournal articleResearchpeer-review

  20. Published

    Development of a QSAR model for binding of tripeptides and tripeptidomimetics to the human intestinal di-/tripeptide transporter hPEPT1. / Andersen, Rikke; Jørgensen, Flemming Steen; Olsen, Lars; Våbenø, Jon; Thorn, Karina; Nielsen, Carsten Uhd; Steffansen, Bente.

    In: Pharmaceutical Research, Vol. 23, No. 3, 2006, p. 483-92.

    Research output: Contribution to journalJournal articleResearchpeer-review

  21. 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

  22. Published

    Dissecting the Cytochrome P450 1A2- and 3A4-Mediated Metabolism of Aflatoxin B1 in Ligand and Protein Contributions. / Bonomo, Silvia; Jørgensen, Flemming Steen; Olsen, Lars.

    In: Chemistry: A European Journal, Vol. 23, No. 12, 24.02.2017, p. 2884-2893.

    Research output: Contribution to journalJournal articleResearchpeer-review

  23. Published

    Docking and scoring of metallo-beta-lactamases inhibitors. / Olsen, Lars; Pettersson, Ingrid; Hemmingsen, Lars; Adolph, Hans-Werner; Jørgensen, Flemming Steen.

    In: Journal of Computer - Aided Molecular Design, Vol. 18, No. 4, 2004, p. 287-302.

    Research output: Contribution to journalJournal articleResearchpeer-review

  24. 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

  25. Published

    Evaluation and comparison of 3D-QSAR CoMSIA models for CDK1, CDK5, and GSK-3 inhibition by paullones. / Kunick, Conrad; Lauenroth, Kathrin; Wieking, Karen; Xie, Xu; Schultz, Christiane; Gussio, Rick; Zaharevitz, Daniel; Leost, Maryse; Meijer, Laurent; Weber, Alexander; Jørgensen, Flemming Steen; Lemcke, Thomas.

    In: Journal of Medicinal Chemistry, Vol. 47, No. 1, 2004, p. 22-36.

    Research output: Contribution to journalJournal articleResearchpeer-review

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ID: 1302104