Flemming Steen Jørgensen

Flemming Steen Jørgensen

Professor


  1. 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

  2. Published

    Molecular Dynamics Simulations Reveal the Proton:Peptide Coupling Mechanism in the Bacterial Proton-Coupled Oligopeptide Transporter YbgH. / Aduri, Nanda G.; Montefiori, Marco; Khalil, Ruqaiya; Gajhede, Michael; Jørgensen, Flemming Steen; Mirza, Osman.

    In: ACS Omega, Vol. 4, No. 1, 31.01.2019, p. 2040-2046.

    Research output: Contribution to journalJournal articleResearchpeer-review

  3. Published

    Structural analysis of CYP2C9 and CYP2C5 and an evaluation of commonly used molecular modeling techniques. / Afzelius, Lovisa; Raubacher, Florian; Karlén, Anders; Jørgensen, Flemming Steen; Andersson, Tommy B; Masimirembwa, Collen M; Zamora, Ismael.

    In: Drug Metabolism and Disposition, Vol. 32, No. 11, 2004, p. 1218-29.

    Research output: Contribution to journalJournal articleResearchpeer-review

  4. 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

  5. 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

  6. 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

  7. 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

  8. 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

  9. 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

  10. Published

    peri-Interaction, ortho-interaction, and barriers to internal rotation. A dynamic nuclear magnetic resonance and molecular mechanics investigation of 1,2-dineopentylbenzene and 1,8-dineopentylnaphthalene. / Anderson, J Edgar; Barkel, David JD; Jørgensen, Flemming Steen.

    In: Journal of the Chemical Society. Perkin Transactions 2 (2001), No. 2, 01.02.1988, p. 199-202.

    Research output: Contribution to journalJournal articleResearchpeer-review

  11. 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

  12. Published

    Setting the anomeric effect against steric effects in simple acyclic acetals. Non-anomeric non-classical conformations. An n.m.r. and molecular mechanics investigation. / Anderson, J. Edgar; Heki, Katsuhiko; Hirota, Minoru; Jørgensen, Flemming Steen.

    In: Chemical communications (Cambridge, England), Vol. 1987, 1987, p. 554-555.

    Research output: Contribution to journalJournal articleResearchpeer-review

  13. Published

    Determination of ring inversion barriers for 1H,3H-naphtho[1,8-cd]-pyran and its methyl substituted derivatives by molecular mechanics calculations and dynamic nuclear magnetic resonance spectroscopy. / Anderson, J. Edgar; Jørgensen, Flamming S.

    In: Journal of the Chemical Society, Perkin Transactions 2, No. 4, 01.01.1981, p. 741-746.

    Research output: Contribution to journalJournal articleResearchpeer-review

  14. Published

    Ring inversion of CH2-X-CH2-bridged peri-naphthalenes. A dynamic n.m.r. study. / Anderson, J. Edgar; Jørgensen, Flemming S.; Thomsen, Tove.

    In: Journal of the Chemical Society, Chemical Communications, No. 6, 01.01.1982, p. 333-334.

    Research output: Contribution to journalJournal articleResearchpeer-review

  15. 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

  16. Published

    Promising Tools in Prostate Cancer Research : Selective Non-Steroidal Cytochrome P450 17A1 Inhibitors. / Bonomo, Silvia; Hansen, Cecilie H; Petrunak, Elyse M; Scott, Emily E; Styrishave, Bjarne; Jørgensen, Flemming Steen; Olsen, Lars.

    In: Scientific Reports, Vol. 6, 29468, 12.07.2016.

    Research output: Contribution to journalJournal articleResearchpeer-review

  17. Published

    Mechanism of Cytochrome P450 17A1-Catalyzed Hydroxylase and Lyase Reactions. / Bonomo, Silvia; Jørgensen, Flemming Steen; Olsen, Lars.

    In: Journal of Chemical Information and Modeling, Vol. 57, No. 5, 22.05.2017, p. 1123-1133.

    Research output: Contribution to journalJournal articleResearchpeer-review

  18. 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

  19. Published

    Structural and stereochemical requirements for interactions with subtypes of central excitatory amino acid receptors. / Brehm, Lotte; Christensen, Inge T; Nielsen, Birgitte; Reinhardt, Annemarie ; Ebert, Bjarke; Madsen, Ulf; Jørgensen, Flemming Steen; Hansen, Jan J.; Krogsgaard-Larsen, Povl.

    Frontiers in Drug Research; Alfred Benzon Symposium 28. ed. / B. Jensen; F. S. Jørgensen; H. Kofod. Copenhagen : Munksgaard , 1990. p. 92-105.

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

  20. 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

  21. Published

    Correlations between Core Photoionization Energies (EB1s) and Gas-Phase Basicity. A General Method for Determining Sites of Protonation and Intramolecular Ion Reorganization Energies. / Buschek, J. M.; Jørgensen, F. S.; Brown, R. S.

    In: Journal of the American Chemical Society, Vol. 104, No. 19, 01.01.1982, p. 5019-5025.

    Research output: Contribution to journalJournal articleResearchpeer-review

  22. Published

    Towards an identification of the pyrethroid pharmacophore. A molecular modelling study of some pyrethroid esters. / Byberg, J R; Jørgensen, Flemming Steen; Klemmensen, P D.

    In: Journal of Computer - Aided Molecular Design, Vol. 1, No. 3, 1987, p. 181-95.

    Research output: Contribution to journalJournal articleResearchpeer-review

  23. Published

    Substrate-enzyme interactions and catalytic mechanism in phospholipase C : a molecular modeling study using the GRID program. / Byberg, J R; Jørgensen, Flemming Steen; Hansen, S; Hough, E.

    In: Proteins: Structure, Function, and Bioinformatics, Vol. 12, No. 4, 1992, p. 331-8.

    Research output: Contribution to journalJournal articleResearchpeer-review

  24. 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

  25. Published

    Insights into regioselective metabolism of mefenamic acid by cytochrome P450 BM3 mutants through crystallography, docking, molecular dynamics, and free energy calculations. / Capoferri, Luigi; Leth, Rasmus; Ter Haar, Ernst; Mohanty, Arun K; Grootenhuis, Peter D J; Vottero, Eduardo; Commandeur, Jan M N; Vermeulen, Nico P E; Jørgensen, Flemming Steen; Olsen, Lars; Geerke, Daan P.

    In: Proteins: Structure, Function, and Bioinformatics, Vol. 84, No. 3, 03.2016, p. 383-96.

    Research output: Contribution to journalJournal articleResearchpeer-review

  26. Published

    3-mercaptopropanal. / Carlsen, Lars; Jørgensen, Flemming S.; Egsgaard, Helge; Nicolaisen, Flemming M.

    In: Journal of the Chemical Society, Perkin Transactions 2, No. 4, 01.01.1984, p. 609-613.

    Research output: Contribution to journalJournal articleResearchpeer-review

  27. 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

  28. Published

    Three-dimensional structures of human phospholipase A2 from pancreas and synovial fluid by model building. / Christensen, I T; Jørgensen, Flemming Steen; Svensson, L A; Högberg, T.

    In: Drug Design and Discovery, Vol. 10, No. 2, 1993, p. 101-13.

    Research output: Contribution to journalJournal articleResearchpeer-review

  29. 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

  30. 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

  31. Published

    Structural analysis of Cytochrome P450 BM3 mutant M11 in complex with dithiothreitol. / Frydenvang, Karla; Verkade-Vreeker, Marlies C A; Dohmen, Floor; Commandeur, Jan N M; Rafiq, Maria; Mirza, Osman; Jørgensen, Flemming Steen; Geerke, Daan P.

    In: PLoS ONE, Vol. 14, No. 5, e0217292, 2019.

    Research output: Contribution to journalJournal articleResearchpeer-review

  32. Published

    Crystal and Molecular Structure of anti-Sesquinorbornene. / Gaihede, Michael; Jørgensen, Flemming S.; Kopecky, Karl R.; Watson, William H.; Kashyap, Ram P.

    In: Journal of Organic Chemistry, Vol. 50, No. 22, 01.01.1985, p. 4395-4397.

    Research output: Contribution to journalJournal articleResearchpeer-review

  33. Published

    Sulfur-Bridged pen-Naphthalenes : Synthesis, Conformational Analysis, and Photoelectron Spectroscopy of the Mono-, Di-, and Trisulfides of 1,8-Dimethylnaphthalene. / Guttenberger, Hans G.; Bestmann, Hans J.; Dickert, Franz L.; Jorgensen, Flemming S.; Snyder, James P.

    In: Journal of the American Chemical Society, Vol. 103, No. 1, 01.01.1981, p. 159-168.

    Research output: Contribution to journalJournal articleResearchpeer-review

  34. 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

  35. 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

  36. 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

  37. Published

    Cyclynes. Part 5. Pericyclynes: "exploded cycloalkanes" with unusual orbital interactions and conformational properties. MM2 and STO-3G calculations, x-ray crystal structures, photoelectron spectra, and electron transmission spectra. / Houk, K. N.; Scott, Lawrence T.; Rondan, Nelson G.; Spellmeyer, David C.; Reinhardt, Gerd; Hyun, James L.; DeCicco, Gary J.; Weiss, Robert; Chen, Marie H. M.; Bass, Lawrence S.; Clardy, Jon; Jørgensen, Flemming Steen; Eaton, Thomas A.; Sarkozi, Victor; Petit, Christina M.; Ng, Lily; Jordan, Kenneth D.

    In: Journal of the American Chemical Society, Vol. 107, No. 23, 1985, p. 6556-6562.

    Research output: Contribution to journalJournal articleResearchpeer-review

  38. Published

    Update on protein structure prediction : Results of the 1995 IRBM workshop. / Hubbard, T; Tramontano, A; Barton, G; Jones, D; Sippl, M; Valencia, A; Lesk, A; Moult, J; Rost, B; Sander, C; Schneider, R; Lahm, A; Leplae, R; Buta, C; Eisenstein, M; Fjellstrom, O; Floeckner, H; Grossmann, JG; Hansen, J; Citterich, MH; Jørgensen, Flemming Steen; MarchlerBauer, A; Osuna, J; Park, J; Reinhardt, A; dePouplana, LR; RojoDominguez, A; Saudek, V; Sinclair, J; Sturrock, S; Venclovas, C; Vinals, C.

    In: Folding and Design, Vol. 1, No. 3, 1996, p. R55-R63.

    Research output: Contribution to journalJournal articleResearchpeer-review

  39. 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

  40. 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

  41. Published

    Study on the binding of Thioflavin T to ß-sheet-rich and non-ß-sheet cavities. / Jensen, Minna Grønning; Olsen, Lars; Van De Weert, Marco; Flink, James M.; Frøkjær, Sven; Jørgensen, Flemming Steen.

    In: Journal of Structural Biology, Vol. 158, No. 3, 2007, p. 358-369.

    Research output: Contribution to journalJournal articleResearchpeer-review

  42. Published

    The Electronic Structure of β-Thioxoketones. A Photoelectron Spectroscopic Study of the Enol-Enethiol Tautomerism of Thioacetylacetone and Related Compounds. / Jorgensen, Flemming S.; Carlsen, Lars; Duus, Fritz.

    In: Journal of the American Chemical Society, Vol. 103, No. 6, 01.01.1981, p. 1350-1353.

    Research output: Contribution to journalJournal articleResearchpeer-review

  43. 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

  44. Published

    Cyclic Acetals. Structural Analysis of 1,3‐Dioxepine and Related Compounds. / Jørgensen, Flemming S.; Gajhede, Michael; Frei, Bruno.

    In: Helvetica Chimica Acta, Vol. 68, No. 8, 01.01.1985, p. 2148-2157.

    Research output: Contribution to journalJournal articleResearchpeer-review

  45. Published

    Photoelectron spectra of some decahydrotrimethanoanthracenes : Observation of large π orbital interactions through six bonds and an apparent violation of the trans rule. / Jørgensen, Flemming S.; Paddon-Row, Michael N.; Patney, Harish K.

    In: Journal of the Chemical Society, Chemical Communications, No. 10, 01.01.1983, p. 573-575.

    Research output: Contribution to journalJournal articleResearchpeer-review

  46. Published

    Disulfide conformational analysis. The nature of the S-S rotation barrier1 1 Organo-Sulphur Mechanisms-9. For Part 8 see L. Carlsen and J.P. Snyder, J. Org. Chem. 43, 2216 (1978). / Jørgensen, Flemming S.; Snyder, James P.

    In: Tetrahedron, Vol. 35, No. 11, 01.01.1979, p. 1399-1407.

    Research output: Contribution to journalJournal articleResearchpeer-review

  47. Published

    X-ray Photoelectron Spectroscopic Study of the Enol-Enethiol Tautomerism of Thioacetylacetone and Related β-Thioxoketones. / Jørgensen, Flemming S.; Brown, R. S.; Carlsen, Lars; Duus, Fritz.

    In: Journal of the American Chemical Society, Vol. 104, No. 22, 01.01.1982, p. 5922-5926.

    Research output: Contribution to journalJournal articleResearchpeer-review

  48. Published

    Polyethers. Structural analysis of the 1,4,5,8-tetraoxadecalins and 2,2'-bis(1,3-dioxolane) by photoelectron spectroscopy, molecular mechanics and molecular orbital calculations. / Jørgensen, Flemming S.; Nørskov-Lauritsen, Leif; Jensen, Roald Boe; Sshroll, Gustav.

    In: Tetrahedron, Vol. 37, No. 21, 01.01.1981, p. 3671-3679.

    Research output: Contribution to journalJournal articleResearchpeer-review

  49. Published

    Search for a trans-Disulfide : Structural Analysis of Di-tert-adamantyl Disulfide by Photoelectron Spectroscopy, Derivation of σI (t-Ad), and Molecular Mechanics Calculations for Related Bulky Disulfides. / Jørgensen, Flemming S.; Snyder, James P.

    In: Journal of Organic Chemistry, Vol. 45, No. 6, 01.01.1980, p. 1015-1020.

    Research output: Contribution to journalJournal articleResearchpeer-review

  50. Published

    1,2‐Oxathiolane – A Photoelectron Spectroscopic Study. / Jørgensen, Flemming S.; Carlsen, Lars.

    In: Chemische Berichte, Vol. 116, No. 6, 01.01.1983, p. 2374-2377.

    Research output: Contribution to journalJournal articleResearchpeer-review

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