Flemming Steen Jørgensen

Flemming Steen Jørgensen

Professor

ORCID: 0000-0001-8040-2998

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  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 journal › Journal article › Research › peer-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 journal › Journal article › Research › peer-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 journal › Journal article › Research › peer-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 journal › Journal article › Research › peer-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 journal › Journal article › Research › peer-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 journal › Journal article › Research › peer-review

  7. Published

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

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

    Research output: Contribution to journal › Journal article › Research › peer-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 journal › Journal article › Research › peer-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 journal › Journal article › Research › peer-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 proceeding › Book chapter › Research › peer-review

  11. 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 journal › Journal article › Research › peer-review

  12. 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 proceeding › Book chapter › Education

  13. 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 journal › Journal article › Research › peer-review

  14. 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 journal › Journal article › Research › peer-review

  15. 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 journal › Journal article › Research › peer-review

  16. Published

    Computeren er medicinalkemikerens arbejdshest

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

    Research output: Contribution to journal › Journal article › Communication

  17. Published

    Computeren kan forudsige lægemidlers omdannelse

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

    Research output: Contribution to journal › Journal article › Research

  18. 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 journal › Journal article › Research › peer-review

  19. 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 journal › Journal article › Research › peer-review

  20. 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 journal › Journal article › Research › peer-review

  21. 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 journal › Journal article › Research › peer-review

  22. 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 journal › Journal article › Research › peer-review

  23. 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 journal › Journal article › Research › peer-review

  24. 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 journal › Journal article › Research › peer-review

  25. 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 journal › Journal article › Research › peer-review

  26. 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 journal › Journal article › Research › peer-review

  27. 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 journal › Journal article › Research › peer-review

  28. 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, 1-2, p. 115-117 3 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  29. 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 journal › Journal article › Research › peer-review

  30. 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 journal › Journal article › Research › peer-review

  31. 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 proceeding › Book chapter › Research › peer-review

  32. 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 journal › Journal article › Research › peer-review

  33. Published

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

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

    Research output: Contribution to conference › Conference abstract for conference › Research › peer-review

  34. 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 journal › Journal article › Research › peer-review

  35. 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 journal › Journal article › Research › peer-review

  36. Published

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

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

    Research output: Contribution to journal › Journal article › Research › peer-review

  37. Published

    Docking and scoring of metallo-beta-lactamases inhibitors

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

    Research output: Contribution to journal › Journal article › Research › peer-review

  38. 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, A. C. & Styrishave, Bjarne, 19 Mar 2016, In: Toxicology in Vitro. 34, p. 71-80 10 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  39. 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 journal › Journal article › Research › peer-review

  40. 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 proceeding › Book chapter › Research › peer-review

  41. Published

    Forbedret optagelse af lægemidler i organismen: computeren viser vejen

    Larsen, S. B., Jørgensen, Flemming Steen & Olsen, L., 2010, In: Dansk Kemi. 91, 6/7, p. 18-20

    Research output: Contribution to journal › Journal article › Research

  42. Published

    Forudsigelser med hjælp fra det virtuelle rum

    Andersen, R., Steffansen, B., Jørgensen, Flemming Steen & Nielsen, C. U., 2005, In: Lægemiddelforskning. p. 24-25

    Research output: Contribution to journal › Journal article › Communication

  43. Published

    G protein- and agonist-bound serotonin 5-HT2A receptor model activated by steered molecular dynamics simulations

    Ísberg, V., Balle, T., Sander, T., Jørgensen, Flemming Steen & Gloriam, David E., 28 Feb 2011, In: Journal of Chemical Information and Modeling. 51, 2, p. 315-325

    Research output: Contribution to journal › Journal article › Research › peer-review

  44. Published

    GABAA receptor agonists, partial agonists, and antagonists. Design and therapeutic prospects

    Krogsgaard-Larsen, Povl, Frølund, Bente, Jørgensen, Flemming Steen & Schousboe, Arne, 1994, In: Journal of Medicinal Chemistry. 37, 16, p. 2489-505 17 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  45. Published

    Heterocyclic muscarinic agonists: Structural and therapeutic aspects

    Krogsgaard-Larsen, Povl, Jensen, B., Falch, E. & Jørgensen, Flemming Steen, 1 Jan 1989, In: Drugs of the Future. 14, 6, p. 541-561 21 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  46. Published

    Homology building as a means to define antigenic epitopes on dihydrofolate reductase (DHFR) from Plasmodium falciparum

    Alifrangis, Michael, Christensen, I. T., Jørgensen, Flemming Steen, Rønn, A. M., Weng, J. E., Chen, M., Bygbjerg, Ib Christian, Sirawaraporn, W., Palarasah, Y. & Koch, C., 2004, In: Malaria Journal. 3, p. 16

    Research output: Contribution to journal › Journal article › Research › peer-review

  47. Published

    Homology modelling of the GABA transporter and analysis of tiagabine binding

    Skovstrup, S., Taboureau, O., Bräuner, Hans & Jørgensen, Flemming Steen, 2010, In: ChemMedChem. 5, 7, p. 986-1000

    Research output: Contribution to journal › Journal article › Research › peer-review

  48. Published

    Human peptide transporters: Therapeutic applications

    Nielsen, C. U., Larsen, Birger Brodin, Jørgensen, Flemming Steen, Frøkjær, Sven & Steffansen, B., 1 Sep 2002, In: Expert Opinion on Therapeutic Patents. 12, 9, p. 1329-1350 22 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  49. Published

    Hvad har varme at gøre med lægemidler?

    Olsen, L., Kasper, C., Kastrup, Jette Sandholm Jensen, Gajhede, Michael & Jørgensen, Flemming Steen, 2006, In: Lægemiddelforskning. p. 31-33

    Research output: Contribution to journal › Journal article › Communication

  50. Published

    Identification of CYP1A2 ligands by structure-based and ligand-based virtual screening

    Poongavanam, V., Lastdrager, J., Oostenbrink, C., Commandeur, J. N. M., Vermeulen, N. P. E., Jørgensen, Flemming Steen & Olsen, L., 2011, In: MedChemComm. 2, 9, p. 853-859

    Research output: Contribution to journal › Journal article › Research › peer-review

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ID: 1302104