Flemming Steen Jørgensen

Flemming Steen Jørgensen

Professor


  1. 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 journalJournal articleResearchpeer-review

  2. 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, 1997, In : Biopolymers. 42, 3, p. 319-36 18 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  3. 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

  4. Published

    Small angle X-ray scattering study of calreticulin reveals conformational plasticity

    Toft, K. N., Larsen, N., Jørgensen, Flemming Steen, Højrup, P., Houen, G. & Vestergaard, Bente, 2008, In : BBA General Subjects. 1784, 9, p. 1265-1270

    Research output: Contribution to journalJournal articleResearchpeer-review

  5. Published

    Structural differences of matrix metalloproteinases with potential implications for inhibitor selectivity examined by the GRID/CPCA approach

    Terp, G. E., Cruciani, G., Christensen, I. T. & Jørgensen, Flemming Steen, 2002, In : Journal of Medicinal Chemistry. 45, 13, p. 2675-84 10 p.

    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

    Structural differences of matrix metalloproteinases. Homology modeling and energy minimization of enzyme-substrate complexes

    Terp, G. E., Christensen, I. T. & Jørgensen, Flemming Steen, 2000, In : Journal of Biomolecular Structure & Dynamics. 17, 6, p. 933-46 14 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  8. 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

  9. Published

    The low binding affinity of D-serine at the ionotropic glutamate receptor GluD2 can be attributed to the hinge region

    Tapken, D., Steffensen, T. B., Leth, R., Kristensen, L. B., Gerbola, A., Gajhede, Michael, Jørgensen, Flemming Steen, Olsen, L. & Kastrup, Jette Sandholm Jensen, 7 Apr 2017, In : Scientific Reports. 7, 12 p., 46145.

    Research output: Contribution to journalJournal articleResearchpeer-review

  10. 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

  11. Published

    Risiko for hjerteflimmer afsløres med computermodel

    Taboureau, O., Brunak, S. & Jørgensen, Flemming Steen, 2008, In : Lægemiddelforskning. p. 31-33

    Research output: Contribution to journalJournal articleCommunication

  12. 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

  13. Published

    Isolation of a library of aromadendranes from Landolphia dulcis and its characterization using the VolSurf approach

    Stærk, Dan, Skole, B., Jørgensen, Flemming Steen, Budnik, B. A., Ekpe, P. & Jaroszewski, J. W., 2004, In : Journal of Natural Products. 67, 5, p. 799-805 7 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  14. 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

  15. Published

    Homology modelling of the GABA transporter and analysis of tiagabine binding

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

    Research output: Contribution to journalJournal articleResearchpeer-review

  16. Published

    Use of density functional theory in drug metabolism studies

    Rydberg, P., Jørgensen, Flemming Steen & Olsen, L., Feb 2014, In : Expert Opinion on Drug Metabolism & Toxicology. 10, 2, p. 215-27 13 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  17. 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

  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

    Virtual screening and prediction of site of metabolism for cytochrome P450 1A2 ligands

    Poongavanam, V., Hritz, J., Taboureau, O., Olsen, L., Jørgensen, Flemming Steen, Vermeulen, N. P. E. & Oostenbrink, C., 2009, In : Journal of Chemical Information and Modeling. 49, 1, p. 43-52

    Research output: Contribution to journalJournal articleResearchpeer-review

  20. 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

  21. 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 journalJournal articleResearchpeer-review

  22. 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

  23. 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

  24. 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

  25. Published

    Prediction of cytochrome P450 mediated metabolism

    Olsen, L., Oostenbrink, C. & Jørgensen, Flemming Steen, 6 May 2015, In : Advanced Drug Delivery Reviews. 86, p. 61-71 11 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  26. Published

    Computeren kan forudsige lægemidlers omdannelse

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

    Research output: Contribution to journalJournal articleResearch

  27. 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 journalJournal articleCommunication

  28. 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

  29. 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

  30. Published

    New leads of metallo-beta-lactamase inhibitors from structure-based pharmacophore design

    Olsen, L., Jost, S., Adolph, H., Pettersson, I., Hemmingsen, Lars Bo Stegeager & Jørgensen, Flemming Steen, 2006, In : Bioorganic & Medicinal Chemistry. 14, 8, p. 2627-2635 9 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  31. 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

  32. 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

  33. Published

    Human peptide transporters: Therapeutic applications

    Nielsen, C. U., Brodin, Birger, 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 journalJournal articleResearchpeer-review

  34. 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

  35. 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

  36. 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, Ulf, Brehm, L., Schaumburg, K., Jørgensen, Flemming Steen & Krogsgaard-Larsen, Povl, 1990, In : Journal of Medicinal Chemistry. 33, 1, p. 374-80 7 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  37. 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

  38. Published

    hERG classification model based on a combination of support vector machine method and GRIND descriptors

    Li, Q., Jørgensen, Flemming Steen, Oprea, T., Brunak, Søren & Taboureau, Olivier Thierry, 2012, In : Molecular Pharmaceutics. 5, 1, p. 117-127 11 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  39. 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

  40. 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, 1999, In : Bioorganic & Medicinal Chemistry. 7, 6, p. 1003-11 9 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  41. 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

  42. 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

  43. 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 journalJournal articleResearch

  44. Published

    QSAR models for the human H+/peptide symporter, hPEPT1: Affinity prediction using alignment-independent descriptors

    Larsen, S. B., Jørgensen, Flemming Steen & Olsen, L., 2008, In : Journal of Chemical Information and Modeling. 48, 1, p. 233-241

    Research output: Contribution to journalJournal articleResearchpeer-review

  45. Published

    Structure-based optimisation of non-steroidal cytochrome P450 17A1 inhibitors

    Larsen, M., Hansen, C. H., Rasmussen, T. B., Styrishave, Bjarne, Olsen, L. & Jørgensen, Flemming Steen, 28 Feb 2017, In : Chemical Communications. 53, 3118, 4 p., 3118.

    Research output: Contribution to journalJournal articleResearchpeer-review

  46. 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

  47. 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

  48. 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 journalJournal articleResearchpeer-review

  49. 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 journalJournal articleResearchpeer-review

  50. 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

Previous 1 2 Next

ID: 1302104