Flemming Steen Jørgensen

Flemming Steen Jørgensen

Professor


  1. 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

  2. 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

  3. Published

    cis-disulfides protelectron spectrum of a 6,7-dithiabicyclo[3.2.1]octane. / Jørgensen, Flemming Steen; McCabe, Peter H.

    In: Tetrahedron Letters, Vol. 24, No. 3, 1983, p. 319-322.

    Research output: Contribution to journalJournal articleResearchpeer-review

  4. 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

  5. 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

  6. 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

  7. 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

  8. 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

  9. 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

  10. 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

  11. 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

  12. 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

  13. 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

  14. 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

  15. 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

  16. 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

  17. 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

  18. 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

  19. Published

    Structure-based optimisation of non-steroidal cytochrome P450 17A1 inhibitors. / Larsen, Morten; Hansen, Cecilie Hurup; Rasmussen, Tobias B.; Styrishave, Bjarne; Olsen, Lars; Jørgensen, Flemming Steen.

    In: Chemical Communications, Vol. 53, No. 3118, 3118, 28.02.2017.

    Research output: Contribution to journalJournal articleResearchpeer-review

  20. 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

  21. 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

  22. 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

  23. 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

  24. 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

  25. 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

  26. 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

  27. 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

  28. 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

  29. 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

  30. 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

  31. 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

  32. 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

  33. 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

  34. 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

  35. 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

  36. 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

  37. 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

  38. 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

  39. 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

  40. 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

  41. 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

  42. Published

    On the presence of extremely short H...H non-bonded distances, and orbital interactions through eight s bonds or through two methylene groups in tetramethanonaphthacenes. / Jørgensen, Flemming Steen; Paddon-Row, Michael N.

    In: Tetrahedron Letters, Vol. 24, No. 48, 1983, p. 5415 - 5418.

    Research output: Contribution to journalJournal articleResearchpeer-review

  43. Published

    On the molecular and electronic features of syn- and anti-sequinorbornene. / Jørgensen, Flemming Steen.

    In: Tetrahedron Letters, Vol. 24, No. 47, 1983, p. 5289 - 5292.

    Research output: Contribution to journalJournal articleResearchpeer-review

  44. 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

  45. 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

  46. Published

    Molecular modelling of GABA uptake inhibitors. / Jørgensen, Flemming Steen; Thøgersen, Henning.

    In: Nordic Journal of Psychiatry, Vol. 41, No. 6, 01.01.1987, p. 483-486.

    Research output: Contribution to journalJournal articleResearchpeer-review

  47. 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

  48. 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

  49. 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

  50. 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

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ID: 1302104