Flemming Steen Jørgensen

Flemming Steen Jørgensen

Professor

ORCID: 0000-0001-8040-2998

Publication year:
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1 - 59 out of 59Page size: 500
  1. 2017
  2. 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 journal › Journal article › Research › peer-review

  3. Published

    Mechanism of Cytochrome P450 17A1-Catalyzed Hydroxylase and Lyase Reactions

    Bonomo, S., Jørgensen, Flemming Steen & Olsen, L., 22 May 2017, In : Journal of Chemical Information and Modeling. 57, 5, p. 1123-1133 11 p.

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

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

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

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

  7. 2016
  8. Published

    Promising Tools in Prostate Cancer Research: Selective Non-Steroidal Cytochrome P450 17A1 Inhibitors

    Bonomo, S., Hansen, C. H., Petrunak, E. M., Scott, E. E., Styrishave, Bjarne, Jørgensen, Flemming Steen & Olsen, L., 12 Jul 2016, In : Scientific Reports. 6, 11 p., 29468.

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

  9. Published

    Insights into regioselective metabolism of mefenamic acid by cytochrome P450 BM3 mutants through crystallography, docking, molecular dynamics, and free energy calculations

    Capoferri, L., Leth, R., Ter Haar, E., Mohanty, A. K., Grootenhuis, P. D. J., Vottero, E., Commandeur, J. M. N., Vermeulen, N. P. E., Jørgensen, Flemming Steen, Olsen, L. & Geerke, D. P., Mar 2016, In : Proteins: Structure, Function, and Bioinformatics. 84, 3, p. 383-96 14 p.

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

  10. 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

  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, Andreas Christopher & 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. 2015
  13. Published

    Salt-bridge Swapping in the EXXERFXYY Motif of Proton Coupled Oligopeptide Transporters

    Aduri, N. G., Prabhala, B. K., Ernst, H. A., Jørgensen, Flemming Steen, Olsen, L. & Mirza, Osman Asghar, 2015, In : The Journal of Biological Chemistry. 290, 50, p. 29931-29940 10 p.

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

  14. 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

  15. 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

  16. 2014
  17. 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 conference › Conference abstract for conference › Research › peer-review

  18. 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

  19. 2012
  20. Published

    Synthesis and antiangiogenic activity of N-alkylated levamisole derivatives

    Hansen, A. N., Bendiksen, C. D., Sylvest, L., Friis, T., Stærk, Dan, Jørgensen, Flemming Steen, Olsen, Christian Adam & Houen, G., 2012, In : P L o S One. 7, 9, 10 p.

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

  21. Published

    Prediction of pH-dependent aqueous solubility of druglike molecules

    Hansen, N. T., Kouskoumvekaki, I., Jørgensen, Flemming Steen, Brunak, Søren & Jónsdóttir, S. O., 2012, In : Journal of Chemical Information and Modeling. 46, 6, p. 2601-2609 9 p.

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

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

  23. 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

  24. 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

  25. 2011
  26. 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

  27. 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

  28. 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

  29. 2010
  30. Published

    Mutational mapping and modeling of the binding site for (S)-citalopram in the human serotonin transporter

    Andersen, J., Olsen, L., Hansen, K. B., Taboureau, O., Jørgensen, Flemming Steen, Jørgensen, A. M., Bang-Andersen, B., Egebjerg, J., Strømgaard, Kristian & Kristensen, Anders Skov, 2010, In : Journal of Biological Chemistry. 285, 3, p. 2051-2063

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

  31. 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

  32. 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

  33. 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

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

  35. 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

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

  37. 2009
  38. 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

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

  40. 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

  41. 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

  42. 2008
  43. Published

    Solvent diversity in polymorph screening

    Allesø, M., van der Berg, Franciscus Winfried J, Cornett, Claus, Jørgensen, Flemming Steen, Halling-Sørensen, B., Lopez de Diego, H., Hovgaard, L., Aaltonen, J. & Rantanen, Jukka, 2008, In : Journal of Pharmaceutical Sciences. 97, 6, p. 2145-2159

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

  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 journal › Journal article › Research › peer-review

  45. 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

  46. 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

  47. 2007
  48. 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

  49. Published

    Study on the binding of Thioflavin T to ß-sheet-rich and non-ß-sheet cavities

    Jensen, M. G., Olsen, L., van de Weert, Marco, Flink, J. M., Frøkjær, Sven & Jørgensen, Flemming Steen, 2007, In : Journal of Structural Biology. 158, 3, p. 358-369

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

  50. 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

  51. 2006
  52. 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

  53. Published

    In vitro evaluation of N-methyl amide tripeptidomimetics as substrates for the human intestinal di-/tri-peptide transporter hPEPT1

    Andersen, R., Nielsen, C. U., Begtrup, M., Jørgensen, Flemming Steen, Brodin, Birger, Frøkjær, Sven & Steffansen, B., 2006, In : European Journal of Pharmaceutical Sciences. 28, 4, p. 325-35 11 p.

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

  54. Published

    Identification of a gene on chromosome 12q22 uniquely overexpressed in chronic lymphocytic leukemia

    Buhl, A. M., Jurlander, J., Jørgensen, Flemming Steen, Ottesen, A. M., Cowland, J. B., Gjerdrum, L. M., Hansen, B. V. & Leffers, H., 2006, In : Blood. 107, 7, p. 2904-11 8 p.

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

  55. 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

  56. 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

  57. 2005
  58. 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

  59. Published

    Prediction methods and databases within chemoinformatics: emphasis on drugs and drug candidates

    Jónsdóttir, S. O., Jørgensen, Flemming Steen & Brunak, Søren, 2005, In : Bioinformatics. 21, 10, p. 2145-60 16 p.

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

  60. 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

  61. 2004
  62. Published

    Structural analysis of CYP2C9 and CYP2C5 and an evaluation of commonly used molecular modeling techniques

    Afzelius, L., Raubacher, F., Karlén, A., Jørgensen, Flemming Steen, Andersson, T. B., Masimirembwa, C. M. & Zamora, I., 2004, In : Drug Metabolism and Disposition. 32, 11, p. 1218-29 12 p.

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

  63. 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

  64. 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

  65. 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

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

  67. 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

  68. 2002
  69. 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 journal › Journal article › Research › peer-review

  70. 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

  71. 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

  72. 2001
  73. 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

  74. 2000
  75. 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

ID: 1302104