Flemming Steen Jørgensen

Flemming Steen Jørgensen

Professor


  1. 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

  2. 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

  3. 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

  4. 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

  5. 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

  6. 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

  7. 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

  8. 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

  9. 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

  10. 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

  11. 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

  12. 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

  13. 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

  14. 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

  15. Published

    Computeren kan forudsige lægemidlers omdannelse

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

    Research output: Contribution to journalJournal articleResearch

  16. 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

  17. 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

  18. 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

  19. 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

  20. 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

  21. 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

  22. 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

  23. 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

  24. 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

  25. 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

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