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

    Polypharmacology-labeled molecular networking: An analytical technology workflow for accelerated identification of multiple bioactive constituents in complex extracts

    Zhao, Yong, Gericke, Oliver, Li, T., Kjaerulff, Louise, Kongstad, Kenneth Thermann, Heskes, A. M., Møller, Birger Lindberg, Jørgensen, Flemming Steen, Venter, H., Coriani, S., Semple, S. J. & Stærk, Dan, 2023, In: Analytical Chemistry. 95, 9, p. 4381-4389 9 p.

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

  4. Published

    An Optimized Screen Reduces the Number of GA Transporters and provides Insights into NPF Substrate Determinants

    Wulff, N., Ernst, H. A., Jørgensen, M. E., Lambertz, S., Maierhofer, T., Belew, Zeinu Mussa, Crocoll, C., Motawia, M. S., Geiger, D., Jørgensen, Flemming Steen, Mirza, Osman Asghar & Nour-Eldin, Hussam Hassan, 2019, bioRxiv.

    Research output: Working paper › Preprint › Research

  5. Published

    An Optimized Screen Reduces the Number of GA Transporters and Provides Insights Into Nitrate Transporter 1/Peptide Transporter Family Substrate Determinants

    Wulff, N., Ernst, H. A., Jørgensen, M. E., Lambertz, S., Maierhofer, T., Belew, Zeinu Mussa, Crocoll, C., Motawie, Mohammed Saddik, Geiger, D., Jørgensen, Flemming Steen, Mirza, Osman Asghar & Nour-Eldin, Hussam Hassan, 3 Oct 2019, In: Frontiers in Plant Science. 10, 18 p.

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

  6. Published

    Discovery of Novel Non-Steroidal Cytochrome P450 17A1 Inhibitors as Potential Prostate Cancer Agents

    Wróbel, T. M., Rogova, O., Andersen, Kasper Langebjerg, Yadav, R., Brixius-Anderko, S., Scott, E. E., Olsen, L., Jørgensen, Flemming Steen & Björkling, Fredrik, 2020, In: International Journal of Molecular Sciences . 21, 14, p. 1-11 4868.

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

  7. Published

    Exploring the Potential of Sulfur Moieties in Compounds Inhibiting Steroidogenesis

    Wróbel, T. M., Sharma, K., Mannella, I., Oliaro-Bosso, S., Nieckarz, P., Du Toit, T., Voegel, C. D., Rojas Velazquez, M. N., Yakubu, J., Matveeva, A., Therkelsen, S., Jørgensen, Flemming Steen, Pandey, A. V., Pippione, A. C., Lolli, M. L., Boschi, D. & Björkling, Fredrik, 2023, In: Biomolecules. 13, 9, 18 p., 1349.

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

  8. Published

    Synthesis and Structure–Activity Relationships of Novel Non-Steroidal CYP17A1 Inhibitors as Potential Prostate Cancer Agents

    Wróbel, T. M., Rogova, O., Sharma, K., Velazquez, M. N. R., Pandey, A. V., Jørgensen, Flemming Steen, Arendrup, Frederic Schrøder, Andersen, Kasper Langebjerg & Björkling, Fredrik, 2022, In: Biomolecules. 12, 2, 165.

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

  9. Published

    Non-steroidal CYP17A1 Inhibitors: Discovery and Assessment

    Wróbel, T. M., Jørgensen, Flemming Steen, Pandey, A. V., Grudzińska, A., Sharma, K., Yakubu, J. & Björkling, Fredrik, 2023, In: Journal of Medicinal Chemistry. 66, 10, p. 6542–6566

    Research output: Contribution to journal › Review › Research › peer-review

  10. 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

  11. 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

  12. 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

  13. 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

  14. 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

  15. 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

  16. 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

  17. 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

  18. 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

  19. 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

  20. 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

  21. 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

  22. 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

  23. Published

    Effect of Essential Oil Components on the Activity of Steroidogenic Cytochrome P450

    Sharma, K., Lanzilotto, A., Yakubu, J., Therkelsen, S., Vöegel, C. D., Du Toit, T., Jørgensen, Flemming Steen & Pandey, A. V., 2024, In: Biomolecules. 14, 2, 19 p., 203.

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

  24. 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

  25. Published

    Crystal and Molecular Structure of Di- tert-adamantyl Disulfide. Extension of the Correlation between the Sulfur-Sulfur Dihedral Angle and the Sulfur Lone-Pair Energy Gap

    Rindorf, G., Jørgensen, Flemming Steen & Snyder, J. P., 1 Jan 1980, In: Journal of Organic Chemistry. 45, 26, p. 5343-5347 5 p.

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

  26. 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

  27. Published

    PTR2/POT/NPF transporters: what makes them tick?

    Prabhala, B. K., Rahman, M., Nour-Eldin, Hussam Hassan, Jørgensen, Flemming Steen & Mirza, Osman Asghar, 2021, In: Advances in Protein Chemistry and Structural Biology. 123, p. 219-240 22 p.

    Research output: Contribution to journal › Review › Research › peer-review

  28. 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

  29. 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

  30. 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

  31. 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

  32. 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

  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

    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

  35. 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

  36. 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

  37. 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

  38. 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

  39. Published

    SMARTCyp 3.0: enhanced cytochrome P450 site-of-metabolism prediction server

    Olsen, L., Montefiori, M., Tran, K. P. & Jørgensen, Flemming Steen, 1 Sep 2019, In: Bioinformatics (Oxford, England). 35, 17, p. 3174-3175 2 p.

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

  40. 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

  41. 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

  42. 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

  43. 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

  44. 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

  45. 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

  46. Published

    The anti-epileptic drug lamotrigine inhibits the CYP17A1 lyase reaction in vitro

    Munkboel, C. H., Christensen, L. R., Islin, J., Bonomo, S., Olsen, L., Jørgensen, Flemming Steen & Styrishave, Bjarne, Oct 2018, In: Biology of Reproduction. 99, 4, p. 888-897

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

  47. Published

    Fast Methods for Prediction of Aldehyde Oxidase-Mediated Site-of-Metabolism

    Montefiori, M., Lyngholm-Kjærby, C., Long, A., Olsen, L. & Jørgensen, Flemming Steen, 1 Jan 2019, In: Computational and Structural Biotechnology Journal. 17, p. 345-351 7 p.

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

  48. 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

  49. Published

    Differences between the GluD1 and GluD2 receptors revealed by GluD1 X-ray crystallography, binding studies and molecular dynamics

    Masternak, Magdalena, Koch, A., Laulumaa, S., Tapken, D., Hollmann, M., Jørgensen, Flemming Steen & Kastrup, Jette Sandholm Jensen, 2023, In: F E B S Journal. 290, 15, p. 3781-3801

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

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

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