Flemming Steen Jørgensen

Flemming Steen Jørgensen

Professor

ORCID: 0000-0001-8040-2998

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

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

  9. 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

  10. Published

    Risiko for hjerteflimmer afsløres med computermodel

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

    Research output: Contribution to journal › Journal article › Communication

  11. 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

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

  13. 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

  14. 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

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

  16. 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

  17. 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

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

  19. 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

  20. 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

  21. 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

  22. 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

  23. 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

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

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

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