Flemming Steen Jørgensen
Flemming Steen Jørgensen

Professor


  1. Published

    1,2‐Oxathiolane – A Photoelectron Spectroscopic Study

    Jørgensen, Flemming Steen & Carlsen, L., 1 Jan 1983, In : Chemische Berichte. 116, 6, p. 2374-2377 4 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  2. Published

    3-mercaptopropanal

    Carlsen, L., Jørgensen, Flemming Steen, Egsgaard, H. & Nicolaisen, F. M., 1 Jan 1984, In : Journal of the Chemical Society, Perkin Transactions 2. 4, p. 609-613 5 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  3. Published

    3D-QSAR. Towards a quantitative three-dimensional description of muscarinic agonists.

    Lagersted, A. & Jørgensen, Flemming Steen, 1 Jan 1989, In : Progress in Clinical and Biological Research. 291, p. 333-336 4 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  4. Published

    In silico predictions of hERG channel blockers in drug discovery: from ligand-based and target-based approaches to systems chemical biology

    Taboureau, O. & Jørgensen, Flemming Steen, Jun 2011, In : Combinatorial Chemistry & High Throughput Screening. 14, 5, p. 375-387

    Research output: Contribution to journalJournal articleResearchpeer-review

  5. Published

    A diversity optimized combinatorial library for the identification of Fc-fragment binding ligands

    Nielsen, A. L., Jørgensen, Flemming Steen, Olsen, L., Christensen, S. F., Benie, A. J., Bjørnholm, T. & St. Hilaire, P. M., 2010, In : Biopolymers. 94, 2, p. 192-205

    Research output: Contribution to journalJournal articleResearchpeer-review

  6. 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, 2001, In : Journal of Medicinal Chemistry. 44, 14, p. 2333-43 11 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  7. Published

    A quantitative structure-activity relationship for translocation of tripeptides via the human proton-coupled peptide transporter, hPEPT1 (SLC15A1)

    Omkvist, Diana Højmark, Larsen, S. B., Nielsen, C. U., Steffansen, B., Olsen, L., Jørgensen, Flemming Steen & Brodin, Birger, 2010, In : The AAPS Journal. 12, 3, p. 385-396

    Research output: Contribution to journalJournal articleResearchpeer-review

  8. Published

    A robust force field based method for calculating conformational energies of charged drug-like molecules

    Pøhlsgaard, J., Harpsøe, Kasper, Jørgensen, Flemming Steen & Olsen, L., 2012, In : Journal of Chemical Information and Modeling. 52, 2, p. 409-419

    Research output: Contribution to journalJournal articleResearchpeer-review

  9. Published

    A steered molecular dynamics study of binding and translocation processes in the GABA transporter

    Skovstrup, S., David, L., Taboureau, O. & Jørgensen, Flemming Steen, 2012, In : P L o S One. 7, 6, p. e39360

    Research output: Contribution to journalJournal articleResearchpeer-review

  10. Published

    AMPA receptor agonists: structural, conformational and stereochemical aspects

    Hansen, J., Jørgensen, Flemming Steen, Lund, Trine Meldgaard, Nielsen, Birgitte, Reinhardt, A., Breum, I., Brehm, L. & Krogsgaard-Larsen, Povl, 1992, Excitatory Amino Acid Receptors. Krogsgaard-Larsen, P. & Hansen, J. J. (eds.). Ellis Horwood: Chichester, 30 p.

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

  11. Published

    Aldehyde Oxidase: Reaction Mechanism and Prediction of Site of Metabolism

    Montefiori, M., Jørgensen, Flemming Steen & Olsen, L., Aug 2017, In : ACS Omega. 2, 8, p. 4237-4244

    Research output: Contribution to journalJournal articleResearchpeer-review

  12. 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, H. A., Jørgensen, M. E., Lambertz, S., Maierhofer, T., Belew, Zeinu Mussa, Crocoll, C., Motawie, Mohammed Saddik, Geiger, D., Jørgensen, Flemming Steen, Mirza, Osman Asghar & Nour-Eldin, Hussam Hassan, 3 Oct 2019, In : Frontiers in Plant Science. 10, 18 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  13. Published

    Anti,anti acetals : Photoelectron spectroscopy of trans-1,8-dioxadecalins

    Jørgensen, Flemming Steen & Nørskov-Lauritsen, L., 1982, In : Tetrahedron Letters. 23, 49, p. 5221 - 5224

    Research output: Contribution to journalJournal articleResearchpeer-review

  14. Published

    Assessing the relative importance of the biophysical properties of amino acid substitutions associated with human genetic disease

    Terp, B. N., Cooper, D. N., Christensen, I. T., Jørgensen, Flemming Steen, Bross, P. G., Gregersen, Niels Henrik & Krawczak, M., 2002, In : Human Mutation. 20, 2, p. 98-109 12 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  15. Published

    Biostructure-based drug design

    Jørgensen, Flemming Steen & Kastrup, Jette Sandholm Jensen, 2010, Textbook of drug design and discovery. Krogsgaard-Larsen, P., Strømgaard, K. & Madsen, U. (eds.). 4 ed. Boca Raton: CRC Press, p. 29-42

    Research output: Chapter in Book/Report/Conference proceedingBook chapterEducation

  16. Published

    Both Reactivity and Accessibility Are Important in Cytochrome P450 Metabolism: A Combined DFT and MD Study of Fenamic Acids in BM3 Mutants

    Leth, R., Ercig, B., Olsen, L. & Jørgensen, Flemming Steen, 25 Feb 2019, In : Journal of Chemical Information and Modeling. 59, 2, p. 743-753 11 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  17. Published

    Classification of cytochrome P450 1A2 inhibitors and noninhibitors by machine learning techniques

    Poongavanam, V., Taboureau, O., Oostenbrink, C., Vermeulen, N. P. E., Olsen, L. & Jørgensen, Flemming Steen, 2009, In : Drug Metabolism and Disposition. 37, 3, p. 658-664

    Research output: Contribution to journalJournal articleResearchpeer-review

  18. Published

    Computational prediction of binding affinity for CYP1A2-ligand complexes using empirical free energy calculations

    Poongavanam, V., Olsen, L., Jørgensen, Flemming Steen, Vermeulen, N. P. E. & Oostenbrink, C., 2010, In : Drug Metabolism and Disposition. 38, 8, p. 1347-1354

    Research output: Contribution to journalJournal articleResearchpeer-review

  19. Published

    Computational prediction of solubilizers' effect on partitioning

    Høst, J., Christensen, I. T., Jørgensen, Flemming Steen, Frøkjær, Sven & Hovgaard, L., 2007, In : Internation Journal of Pharmaceutics. 329, 1-2, p. 46-52

    Research output: Contribution to journalJournal articleResearchpeer-review

  20. Published

    Computeren er medicinalkemikerens arbejdshest

    Larsen, S. B., Olsen, L. & Jørgensen, Flemming Steen, 2009, In : Lægemiddelforskning. p. 7-9

    Research output: Contribution to journalJournal articleCommunication

  21. Published

    Computeren kan forudsige lægemidlers omdannelse

    Olsen, L., Bergmann, R. & Jørgensen, Flemming Steen, 2004, In : Lægemiddelforskning 2004.

    Research output: Contribution to journalJournal articleResearch

  22. 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, Povl & Jørgensen, Flemming Steen, 1 Dec 1993, In : Drug Design and Discovery. 10, 3, p. 213-229 17 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  23. Published

    Conformational analysis of peri-interactions in napththalene derivatives. Ring inversion in CH2–X–CH2-bridged peri-naphthalenes

    Anderson, J. E. & Jørgensen, Flemming Steen, 1 Apr 1988, In : Journal of the Chemical Society. Perkin Transactions 2 (2001). 1988, 4, p. 469-471 3 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  24. Published

    Conformational analysis of six- and twelve-membered ring compounds by molecular dynamics

    Christensen, I. T. & Jørgensen, Flemming Steen, 1997, In : Journal of Computer - Aided Molecular Design. 11, 4, p. 385-94 10 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  25. Published

    Conformational analysis of the fungicide fenpropimorph by molecular mechanics calculations and NMR spectroscopy

    Kastrup, Jette Sandholm Jensen, Jørgensen, Flemming Steen, Klemmensen, P. D., Hacksell, U. & Petersson, I., 1992, In : Journal of Pesticide Science. 36, p. 309-318 10 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  26. Published

    Conformational and pharmacological characterization of 4-AHCP, a bicyclic homologue of the excitatory amino acid receptor agonist AMPA

    Lund, Trine Meldgaard, Madsen, Ulf, Ebert, B., Jørgensen, Flemming Steen & Krogsgaard-Larsen, Povl, 1991, In : Med. Chem. Res. 1, p. 136-141 6 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  27. Published

    Conformational restrictions in ligand binding to the human intestinal di-/tripeptide transporter: implications for design of hPEPT1 targeted prodrugs

    Våbenø, J., Nielsen, C. U., Steffansen, B., Lejon, T., Sylte, I., Jørgensen, Flemming Steen & Luthman, K., 2005, In : Bioorganic & Medicinal Chemistry. 13, 6, p. 1977-88 12 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  28. Published

    Conservation of a helix-stabilizing dipole moment in the PP-fold family of regulatory peptides

    Bjørnholm, B., Jørgensen, Flemming Steen & Schwartz, Thue W., 1993, In : Biochemistry. 32, 12, p. 2954-9 6 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  29. 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, Flemming Steen & Brown, R. S., 1 Jan 1982, In : Journal of the American Chemical Society. 104, 19, p. 5019-5025 7 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  30. 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, G., Jørgensen, Flemming Steen & Snyder, J. P., 1 Jan 1980, In : Journal of Organic Chemistry. 45, 26, p. 5343-5347 5 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  31. Published

    Crystal and Molecular Structure of anti-Sesquinorbornene

    Gaihede, M., Jørgensen, Flemming Steen, Kopecky, K. R., Watson, W. H. & Kashyap, R. P., 1 Jan 1985, In : Journal of Organic Chemistry. 50, 22, p. 4395-4397 3 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  32. Published

    Crystal structure of merosinigrin, an (ap,ap)-monothioacetal; structural properties of the thioglycosidic linkage

    Nørskov-Lauritsen, L., Jørgensen, Flemming Steen & Jaroszewski, J. W., 11 Nov 1983, In : Carbohydrate Research. 123, 1, p. 1-11 11 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  33. Published

    Crystal structures and photoelectron spectra of some trimethanoanthracenes, tetramethanonaphthacenes, and pentamethanopentacenes. Experimental evidence for laticyclic hyperconjugation

    Paddon-Row, M. N., Englehardt, L. M., Skelton, B. W., White, A. H., Jørgensen, Flemming Steen & Patney, H. K., 1987, In : J. Chem. Soc., Perkin Trans. 2. p. 1835-1850 16 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  34. Published

    Crystallization and preliminary X-ray analysis of a PNA-DNA complex

    Kastrup, Jette Sandholm Jensen, Pilgaard, M., Jørgensen, Flemming Steen, Nielsen, Peter E. & Rasmussen, H. B., 1995, In : FEBS Letters. 363, p. 115-117 3 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  35. Published

    Cyclic Acetals. Structural Analysis of 1,3‐Dioxepine and Related Compounds

    Jørgensen, Flemming Steen, Gajhede, Michael & Frei, B., 1 Jan 1985, In : Helvetica Chimica Acta. 68, 8, p. 2148-2157 10 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  36. 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, L. T., Rondan, N. G., Spellmeyer, D. C., Reinhardt, G., Hyun, J. L., DeCicco, G. J., Weiss, R., Chen, M. H. M., Bass, L. S., Clardy, J., Jørgensen, Flemming Steen, Eaton, T. A., Sarkozi, V., Petit, C. M., Ng, L. & Jordan, K. D., 1985, In : Journal of the American Chemical Society. 107, 23, p. 6556-6562 7 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  37. Published

    Cytochrome P450 Mediated Drug Metabolism

    Olsen, L., Jørgensen, Flemming Steen & Oostenbrink, C., 2016, New Horizons in Predictive Drug Metabolism and Pharmacokinetics. Wilson, A. G. E. (ed.). Cambridge: Royal Society of Chemistry, p. 66-78 13 p. (RSC Drug Discovery, Vol. 49).

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

  38. Published

    Density functional theory study on the formation of reactive benzoquinone imines by hydrogen abstraction

    Leth, R., Rydberg, P., Jørgensen, Flemming Steen & Olsen, L., 23 Mar 2015, In : Journal of Chemical Information and Modeling. 55, 3, p. 660-6 7 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  39. Published

    Design of prodrugs targeting the intestinal di/tri‐peptide transporter hPEPT1 (SLC15A1

    Omkvist, Diana Højmark, Nielsen, C. U., Steffansen, B., Larsen, S. B., Olsen, L., Jørgensen, Flemming Steen & Brodin, Birger, 4 Apr 2014. 1 p.

    Research output: Contribution to conferenceConference abstract for conferenceResearchpeer-review

  40. Published

    Determination of protein conformation by isotopically labelled cross-linking and dedicated software: Application to the chaperone, calreticulin

    Nielsen, T., Thaysen-Andersen, M., Larsen, N., Jørgensen, Flemming Steen, Houen, G. & Højrup, P., 2007, In : International Journal of Mass Spectrometry. 268, 2-3, p. 217-226

    Research output: Contribution to journalJournal articleResearchpeer-review

  41. 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. E. & Jørgensen, Flemming Steen, 1 Jan 1981, In : Journal of the Chemical Society, Perkin Transactions 2. 4, p. 741-746 6 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  42. Published

    Development of a QSAR model for binding of tripeptides and tripeptidomimetics to the human intestinal di-/tripeptide transporter hPEPT1

    Andersen, R., Jørgensen, Flemming Steen, Olsen, L., Våbenø, J., Thorn, K., Nielsen, C. U. & Steffansen, B., 2006, In : Pharmaceutical Research. 23, 3, p. 483-92 10 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  43. Published

    Discovery of ligands for the human intestinal di-/tripeptide transporter (hPEPT1) using af QSAR-assisted virtual screening strategy

    Larsen, S. B., Omkvist, Diana Højmark, Brodin, Birger, Nielsen, C. U., Steffansen, B., Olsen, L. & Jørgensen, Flemming Steen, 2009, In : ChemMedChem. 4, 9, p. 1439-1445

    Research output: Contribution to journalJournal articleResearchpeer-review

  44. Published

    Dissecting the Cytochrome P450 1A2- and 3A4-Mediated Metabolism of Aflatoxin B1 in Ligand and Protein Contributions

    Bonomo, S., Jørgensen, Flemming Steen & Olsen, L., 24 Feb 2017, In : Chemistry: A European Journal. 23, 12, p. 2884-2893 10 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  45. 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 Steen & Snyder, J. P., 1 Jan 1979, In : Tetrahedron. 35, 11, p. 1399-1407 9 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  46. Published

    Docking and scoring of metallo-beta-lactamases inhibitors

    Olsen, L., Pettersson, I., Hemmingsen, Lars, Adolph, H. & Jørgensen, Flemming Steen, 2004, In : Journal of Computer - Aided Molecular Design. 18, 4, p. 287-302 16 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  47. Published

    Enantioselective endocrine disrupting effects of omeprazole studied in the H295R cell assay and by molecular modeling

    Sørensen, A. M., Hansen, C. H., Bonomo, S., Olsen, L., Jørgensen, Flemming Steen, Weisser, J. J., Kretschmann, Andreas Christopher & Styrishave, Bjarne, 19 Mar 2016, In : Toxicology in Vitro. 34, p. 71-80 10 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  48. Published

    Evaluation and comparison of 3D-QSAR CoMSIA models for CDK1, CDK5, and GSK-3 inhibition by paullones

    Kunick, C., Lauenroth, K., Wieking, K., Xie, X., Schultz, C., Gussio, R., Zaharevitz, D., Leost, M., Meijer, L., Weber, A., Jørgensen, Flemming Steen & Lemcke, T., 2004, In : Journal of Medicinal Chemistry. 47, 1, p. 22-36 15 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  49. Published

    Excitatory amino acid receptors: multiplicity and structural requirements for activation and blockade

    Krogsgaard-Larsen, Povl, Lund, Trine Meldgaard, Jørgensen, Flemming Steen & Brehn, L., 1991, Excitatory amino acids and synaptic function. Wheal, H. & Thomson, A. (eds.). London: Academic Press, p. 1-17 17 p. (Excitatory Amino Acids and Synaptic Transmission, Academic Press, London).

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

  50. Published

    Fast Methods for Prediction of Aldehyde Oxidase-Mediated Site-of-Metabolism

    Montefiori, M., Lyngholm-Kjærby, C., Long, A., Olsen, L. & Jørgensen, Flemming Steen, 1 Jan 2019, In : Computational and Structural Biotechnology Journal. 17, p. 345-351 7 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

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