Flemming Steen Jørgensen

Flemming Steen Jørgensen

Professor


  1. 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

  2. Published

    Substrate binding and catalytic mechanism in phospholipase C from Bacillus cereus. a molecular mechanics and molecular dynamics study. / da Graça Thrige, D; Buur, J R; Jørgensen, Flemming Steen.

    In: Biopolymers, Vol. 42, No. 3, 1997, p. 319-36.

    Research output: Contribution to journalJournal articleResearchpeer-review

  3. Published

    An Optimized Screen Reduces the Number of GA Transporters and Provides Insights Into Nitrate Transporter 1/Peptide Transporter Family Substrate Determinants. / Wulff, Nikolai; Ernst, Heidi Asschenfeldt; Jørgensen, Morten Egevang; Lambertz, Sophie; Maierhofer, Tobias; Belew, Zeinu Mussa; Crocoll, Christoph; Motawia, Mohammed Saddik; Geiger, Dietmar; Jørgensen, Flemming Steen; Mirza, Osman; Nour-Eldin, Hussam Hassan.

    In: Frontiers in Plant Science, Vol. 10, 03.10.2019.

    Research output: Contribution to journalJournal articleResearchpeer-review

  4. 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

  5. Published

    Small angle X-ray scattering study of calreticulin reveals conformational plasticity. / Toft, Katrine Nørgaard; Larsen, Nanna; Jørgensen, Flemming Steen; Højrup, Peter; Houen, Gunnar; Vestergaard, Bente.

    In: BBA General Subjects, Vol. 1784, No. 9, 2008, p. 1265-1270.

    Research output: Contribution to journalJournal articleResearchpeer-review

  6. Published

    Structural differences of matrix metalloproteinases with potential implications for inhibitor selectivity examined by the GRID/CPCA approach. / Terp, Gitte Elgaard; Cruciani, Gabriele; Christensen, Inge Thøger; Jørgensen, Flemming Steen.

    In: Journal of Medicinal Chemistry, Vol. 45, No. 13, 2002, p. 2675-84.

    Research output: Contribution to journalJournal articleResearchpeer-review

  7. 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

  8. Published

    Structural differences of matrix metalloproteinases. Homology modeling and energy minimization of enzyme-substrate complexes. / Terp, G E; Christensen, I T; Jørgensen, Flemming Steen.

    In: Journal of Biomolecular Structure & Dynamics, Vol. 17, No. 6, 2000, p. 933-46.

    Research output: Contribution to journalJournal articleResearchpeer-review

  9. 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

  10. Published

    The low binding affinity of D-serine at the ionotropic glutamate receptor GluD2 can be attributed to the hinge region. / Tapken, Daniel; Steffensen, Thomas Bielefeldt; Leth, Rasmus; Kristensen, Lise Baadsgaard; Gerbola, Alexander; Gajhede, Michael; Jørgensen, Flemming Steen; Olsen, Lars; Kastrup, Jette Sandholm.

    In: Scientific Reports, Vol. 7, 46145, 07.04.2017.

    Research output: Contribution to journalJournal articleResearchpeer-review

  11. 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

  12. Published

    Risiko for hjerteflimmer afsløres med computermodel. / Taboureau, Olivier; Brunak, Søren; Jørgensen, Flemming Steen.

    In: Lægemiddelforskning, 2008, p. 31-33.

    Research output: Contribution to journalJournal articleCommunication

  13. 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

  14. 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

  15. 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

  16. 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

  17. 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

  18. Published

    Crystal and Molecular Structure of Di- tert-adamantyl Disulfide. Extension of the Correlation between the Sulfur-Sulfur Dihedral Angle and the Sulfur Lone-Pair Energy Gap. / Rindorf, Grethe; Jorgensen, Flemming S.; Snyder, James P.

    In: Journal of Organic Chemistry, Vol. 45, No. 26, 01.01.1980, p. 5343-5347.

    Research output: Contribution to journalJournal articleResearchpeer-review

  19. 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

  20. 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

  21. 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

  22. 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

  23. 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

  24. Published

    Crystal structures and photoelectron spectra of some trimethanoanthracenes, tetramethanonaphthacenes, and pentamethanopentacenes. Experimental evidence for laticyclic hyperconjugation. / Paddon-Row, Michael N.; Englehardt, Lutz M.; Skelton, Brian W.; White, Allan H.; Jørgensen, Flemming Steen; Patney, Harish K.

    In: J. Chem. Soc., Perkin Trans. 2, 1987, p. 1835-1850.

    Research output: Contribution to journalJournal articleResearchpeer-review

  25. 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

  26. 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

  27. 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

  28. Published

    Hvad har varme at gøre med lægemidler? / Olsen, Lars; Kasper, Christina; Kastrup, Jette Sandholm Jensen; Gajhede, Michael; Jørgensen, Flemming Steen.

    In: Lægemiddelforskning, 2006, p. 31-33.

    Research output: Contribution to journalJournal articleCommunication

  29. Published

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

    In: Lægemiddelforskning 2004, 2004.

    Research output: Contribution to journalJournal articleResearch

  30. 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

  31. Published

    SMARTCyp 3.0 : enhanced cytochrome P450 site-of-metabolism prediction server. / Olsen, Lars; Montefiori, Marco; Tran, Khanhvi Phuc; Jørgensen, Flemming Steen.

    In: Bioinformatics (Oxford, England), Vol. 35, No. 17, 01.09.2019, p. 3174-3175.

    Research output: Contribution to journalJournal articleResearchpeer-review

  32. 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

  33. Published

    New leads of metallo-beta-lactamase inhibitors from structure-based pharmacophore design. / Olsen, Lars; Jost, Sandra; Adolph, Hans-Werner; Pettersson, Ingrid; Hemmingsen, Lars; Jørgensen, Flemming Steen.

    In: Bioorganic & Medicinal Chemistry, Vol. 14, No. 8, 2006, p. 2627-2635.

    Research output: Contribution to journalJournal articleResearchpeer-review

  34. Published

    Crystal structure of merosinigrin, an (ap,ap)-monothioacetal; structural properties of the thioglycosidic linkage. / Nørskov-Lauritsen, Leif; Jørgensen, Flemming S.; Jaroszewski, Jerzy W.

    In: Carbohydrate Research, Vol. 123, No. 1, 11.11.1983, p. 1-11.

    Research output: Contribution to journalJournal articleResearchpeer-review

  35. 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

  36. Published

    Human peptide transporters : Therapeutic applications. / Nielsen, Carsten Uhd; Brodin, Birger; Jørgensen, Flemming Steen; Frokjaer, Sven; Steffansen, Bente.

    In: Expert Opinion on Therapeutic Patents, Vol. 12, No. 9, 01.09.2002, p. 1329-1350.

    Research output: Contribution to journalJournal articleResearchpeer-review

  37. 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

  38. Published

    The anti-epileptic drug lamotrigine inhibits the CYP17A1 lyase reaction in vitro. / Munkboel, Cecilie Hurup; Christensen, Lise Rudbaek; Islin, Julie; Bonomo, Silvia; Olsen, Lars; Jorgensen, Flemming Steen; Styrishave, Bjarne.

    In: Biology of Reproduction, Vol. 99, No. 4, 10.2018, p. 888-897.

    Research output: Contribution to journalJournal articleResearchpeer-review

  39. Published

    Fast Methods for Prediction of Aldehyde Oxidase-Mediated Site-of-Metabolism. / Montefiori, Marco; Lyngholm-Kjærby, Casper; Long, Anthony; Olsen, Lars; Jørgensen, Flemming Steen.

    In: Computational and Structural Biotechnology Journal, Vol. 17, 01.01.2019, p. 345-351.

    Research output: Contribution to journalJournal articleResearchpeer-review

  40. 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

  41. Published

    Relationship between structure, conformational flexibility, and biological activity of agonists and antagonists at the N-methyl-D-aspartic acid subtype of excitatory amino acid receptors. / Madsen, U; Brehm, L; Schaumburg, Kjeld; Jørgensen, Flemming Steen; Krogsgaard-Larsen, P.

    In: Journal of Medicinal Chemistry, Vol. 33, No. 1, 1990, p. 374-80.

    Research output: Contribution to journalJournal articleResearchpeer-review

  42. Published

    Conformational and pharmacological characterization of 4-AHCP, a bicyclic homologue of the excitatory amino acid receptor agonist AMPA. / Lund, Trine Meldgaard; Madsen, U; Ebert, B; Jorgensen, FS; Krogsgaard-Larsen, P.

    In: Med. Chem. Res, Vol. 1, 1991, p. 136-141.

    Research output: Contribution to journalJournal articleResearchpeer-review

  43. 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

  44. 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

  45. Published

    Both Reactivity and Accessibility Are Important in Cytochrome P450 Metabolism : A Combined DFT and MD Study of Fenamic Acids in BM3 Mutants. / Leth, Rasmus; Ercig, Bogac; Olsen, Lars; Jørgensen, Flemming Steen.

    In: Journal of Chemical Information and Modeling, Vol. 59, No. 2, 25.02.2019, p. 743-753.

    Research output: Contribution to journalJournal articleResearchpeer-review

  46. Published

    Towards an understanding of drug resistance in malaria : three-dimensional structure of Plasmodium falciparum dihydrofolate reductase by homology building. / Lemcke, T; Christensen, I T; Jørgensen, Flemming Steen.

    In: Bioorganic & Medicinal Chemistry, Vol. 7, No. 6, 1999, p. 1003-11.

    Research output: Contribution to journalJournal articleResearchpeer-review

  47. 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

  48. 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

  49. 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

  50. Published

    QSAR models for the human H+/peptide symporter, hPEPT1: Affinity prediction using alignment-independent descriptors. / Larsen, Simon Birksø; Jørgensen, Flemming Steen; Olsen, Lars.

    In: Journal of Chemical Information and Modeling, Vol. 48, No. 1, 2008, p. 233-241.

    Research output: Contribution to journalJournal articleResearchpeer-review

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ID: 1302104