Flemming Steen Jørgensen

Flemming Steen Jørgensen

Professor


  1. Published

    3D-QSAR. Towards a quantitative three-dimensional description of muscarinic agonists. / Lagersted, A.; Jørgensen, F. S.

    In: Progress in Clinical and Biological Research, Vol. 291, 01.01.1989, p. 333-336.

    Research output: Contribution to journalJournal articleResearchpeer-review

  2. 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

  3. 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

  4. 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

  5. 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

  6. 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

  7. 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

  8. Published

    AMPA receptor agonists: structural, conformational and stereochemical aspects. / Hansen, JJ; Jørgensen, FS; Lund, Trine Meldgaard; Nielsen, B; Reinhardt, A; Breum, I; Brehm, L; Krogsgaard-Larsen, P.

    Excitatory Amino Acid Receptors. ed. / Povl Krogsgaard-Larsen; Jan J Hansen. Ellis Horwood: Chichester, 1992.

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

    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

  11. 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

  12. 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

  13. 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

  14. 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

  15. Published

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

    In: Lægemiddelforskning 2004, 2004.

    Research output: Contribution to journalJournal articleResearch

  16. Published

    Conformational analysis and molecular modelling of a partial GABA(A) agonist and a glycine antagonist related to the GABA(A) agonist, THIP. / Byberg Buur, J. R.; Hjeds, H.; Krogsgaard-Larsen, P.; Jorgensen, F. S.

    In: Drug Design and Discovery, Vol. 10, No. 3, 01.12.1993, p. 213-229.

    Research output: Contribution to journalJournal articleResearchpeer-review

  17. Published

    Conformational analysis of peri-interactions in napththalene derivatives. Ring inversion in CH2–X–CH2-bridged peri-naphthalenes. / Anderson, J Edgar; Jørgensen, Flemming Steen.

    In: Journal of the Chemical Society. Perkin Transactions 2 (2001), Vol. 1988, No. 4, 01.04.1988, p. 469-471.

    Research output: Contribution to journalJournal articleResearchpeer-review

  18. Published

    Conformational analysis of six- and twelve-membered ring compounds by molecular dynamics. / Christensen, I T; Jørgensen, Flemming Steen.

    In: Journal of Computer - Aided Molecular Design, Vol. 11, No. 4, 1997, p. 385-94.

    Research output: Contribution to journalJournal articleResearchpeer-review

  19. Published

    Conformational analysis of the fungicide fenpropimorph by molecular mechanics calculations and NMR spectroscopy. / Jensen, Jette Sandholm ; Jørgensen, Flemming Steen; Klemmensen, Per D.; Hacksell, Uli; Petersson, Ingrid.

    In: Journal of Pesticide Science, Vol. 36, 1992, p. 309-318.

    Research output: Contribution to journalJournal articleResearchpeer-review

  20. 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

  21. 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

  22. Published

    Conservation of a helix-stabilizing dipole moment in the PP-fold family of regulatory peptides. / Bjørnholm, B; Jørgensen, Flemming Steen; Schwartz, T W.

    In: Biochemistry, Vol. 32, No. 12, 1993, p. 2954-9.

    Research output: Contribution to journalJournal articleResearchpeer-review

  23. Published

    Crystallization and preliminary X-ray analysis of a PNA-DNA complex. / Kastrup, Jette Sandholm Jensen; Pilgaard, Michael; Jørgensen, Flemming Steen; Nielsen, Peter E.; Rasmussen, Hanne B.

    In: FEBS Letters, Vol. 363, 1995, p. 115-117.

    Research output: Contribution to journalJournal articleResearchpeer-review

  24. 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

  25. 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

  26. 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

  27. 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

  28. 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

  29. Published

    Excitatory amino acid receptors: multiplicity and structural requirements for activation and blockade. / Krogsgaard-Larsen, P; Lund, Trine Meldgaard; Jorgensen, FS; Brehn, L.

    Excitatory amino acids and synaptic function. ed. / H Wheal; A Thomson. London : Academic Press, 1991. p. 1-17 (Excitatory Amino Acids and Synaptic Transmission, Academic Press, London).

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

  30. 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

  31. Published

    Forudsigelser med hjælp fra det virtuelle rum. / Andersen, Rikke; Steffansen, Bente; Jørgensen, Flemming Steen; Nielsen, Carsten Uhd.

    In: Lægemiddelforskning, 2005, p. 24-25.

    Research output: Contribution to journalJournal articleCommunication

  32. 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

  33. Published

    GABAA receptor agonists, partial agonists, and antagonists. Design and therapeutic prospects. / Krogsgaard-Larsen, P; Frølund, B; Jørgensen, Flemming Steen; Schousboe, A.

    In: Journal of Medicinal Chemistry, Vol. 37, No. 16, 1994, p. 2489-505.

    Research output: Contribution to journalJournal articleResearchpeer-review

  34. Published

    Heterocyclic muscarinic agonists : Structural and therapeutic aspects. / Krogsgaard-Larsen, P.; Jensen, B.; Falch, E.; Jorgensen, F. S.

    In: Drugs of the Future, Vol. 14, No. 6, 01.01.1989, p. 541-561.

    Research output: Contribution to journalJournal articleResearchpeer-review

  35. Published

    Homology building as a means to define antigenic epitopes on dihydrofolate reductase (DHFR) from Plasmodium falciparum. / Alifrangis, Michael; Christensen, Inge T; Jørgensen, Flemming S; Rønn, Anita M; Weng, Jimmy E; Chen, Ming; Bygbjerg, Ib C; Sirawaraporn, Worachart; Palarasah, Yaseelan; Koch, Claus.

    In: Malaria Journal, Vol. 3, 2004, p. 16.

    Research output: Contribution to journalJournal articleResearchpeer-review

  36. 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

  37. 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

  38. 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

  39. 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

  40. Published

    Identification of a gene on chromosome 12q22 uniquely overexpressed in chronic lymphocytic leukemia. / Buhl, Anne Mette; Jurlander, Jesper; Jørgensen, Flemming Steen; Ottesen, Anne Marie; Cowland, Jack B; Gjerdrum, Lise Mette; Hansen, Brian V; Leffers, Henrik.

    In: Blood, Vol. 107, No. 7, 2006, p. 2904-11.

    Research output: Contribution to journalJournal articleResearchpeer-review

  41. Published

    In vitro evaluation of N-methyl amide tripeptidomimetics as substrates for the human intestinal di-/tri-peptide transporter hPEPT1. / Andersen, Rikke; Nielsen, Carsten Uhd; Begtrup, Mikael; Jørgensen, Flemming Steen; Brodin, Birger; Frokjaer, Sven; Steffansen, Bente.

    In: European Journal of Pharmaceutical Sciences, Vol. 28, No. 4, 2006, p. 325-35.

    Research output: Contribution to journalJournal articleResearchpeer-review

  42. 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

  43. Published

    Molecular mechanics calculations of proteins. Comparison of different energy minimization strategies. / Christensen, I T; Jørgensen, Flemming Steen.

    In: Journal of Biomolecular Structure & Dynamics, Vol. 15, No. 3, 1997, p. 473-88.

    Research output: Contribution to journalJournal articleResearchpeer-review

  44. 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

  45. 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

  46. Published

    Prediction methods and databases within chemoinformatics : emphasis on drugs and drug candidates. / Jónsdóttir, Svava Osk; Jørgensen, Flemming Steen; Brunak, Søren.

    In: Bioinformatics, Vol. 21, No. 10, 2005, p. 2145-60.

    Research output: Contribution to journalJournal articleResearchpeer-review

  47. 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

  48. Published

    Primary structure and conformational analysis of peptide methionine-tyrosine, a peptide related to neuropeptide Y and peptide YY isolated from lamprey intestine. / Conlon, J M; Bjørnholm, B; Jørgensen, Flemming Steen; Youson, J H; Schwartz, T W.

    In: European Journal of Biochemistry, Vol. 199, No. 2, 1991, p. 293-8.

    Research output: Contribution to journalJournal articleResearchpeer-review

  49. 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

  50. 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

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