Flemming Steen Jørgensen
Professor
Structural Biology
Universitetsparken 2
2100 København Ø
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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
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Molecular Dynamics Simulations Reveal the Proton:Peptide Coupling Mechanism in the Bacterial Proton-Coupled Oligopeptide Transporter YbgH
Aduri, N. G., Montefiori, M., Khalil, R., Gajhede, Michael, Jørgensen, Flemming Steen & Mirza, Osman Asghar, 31 Jan 2019, In: ACS Omega. 4, 1, p. 2040-2046 7 p.Research output: Contribution to journal › Journal article › Research › peer-review
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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
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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. 16Research output: Contribution to journal › Journal article › Research › peer-review
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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. 2145-2159Research output: Contribution to journal › Journal article › Research › peer-review
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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. 2051-2063Research output: Contribution to journal › Journal article › Research › peer-review
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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, Larsen, Birger Brodin, 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
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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
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Forudsigelser med hjælp fra det virtuelle rum
Andersen, R., Steffansen, B., Jørgensen, Flemming Steen & Nielsen, C. U., 2005, In: Lægemiddelforskning. p. 24-25Research output: Contribution to journal › Journal article › Communication
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peri-Interaction, ortho-interaction, and barriers to internal rotation. A dynamic nuclear magnetic resonance and molecular mechanics investigation of 1,2-dineopentylbenzene and 1,8-dineopentylnaphthalene
Anderson, J. E., Barkel, D. J. & Jørgensen, Flemming Steen, 1 Feb 1988, In: Journal of the Chemical Society. Perkin Transactions 2 (2001). 2, p. 199-202 4 p.Research output: Contribution to journal › Journal article › Research › peer-review
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Conformational analysis of peri-interactions in napththalene derivatives. Ring inversion in CH2–X–CH2-bridged peri-naphthalenes
Anderson, J. E. & Jørgensen, Flemming Steen, 1 Apr 1988, In: Journal of the Chemical Society. Perkin Transactions 2 (2001). 1988, 4, p. 469-471 3 p.Research output: Contribution to journal › Journal article › Research › peer-review
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Setting the anomeric effect against steric effects in simple acyclic acetals. Non-anomeric non-classical conformations. An n.m.r. and molecular mechanics investigation
Anderson, J. E., Heki, K., Hirota, M. & Jørgensen, Flemming Steen, 1987, In: Chemical communications (Cambridge, England). 1987, p. 554-555 2 p.Research output: Contribution to journal › Journal article › Research › peer-review
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Determination of ring inversion barriers for 1H,3H-naphtho[1,8-cd]-pyran and its methyl substituted derivatives by molecular mechanics calculations and dynamic nuclear magnetic resonance spectroscopy
Anderson, J. E. & Jørgensen, Flemming Steen, 1 Jan 1981, In: Journal of the Chemical Society, Perkin Transactions 2. 4, p. 741-746 6 p.Research output: Contribution to journal › Journal article › Research › peer-review
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Ring inversion of CH2-X-CH2-bridged peri-naphthalenes. A dynamic n.m.r. study
Anderson, J. E., Jørgensen, Flemming Steen & Thomsen, T., 1 Jan 1982, In: Journal of the Chemical Society, Chemical Communications. 6, p. 333-334 2 p.Research output: Contribution to journal › Journal article › Research › peer-review
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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 journal › Journal article › Research › peer-review
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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
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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
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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
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Structural and stereochemical requirements for interactions with subtypes of central excitatory amino acid receptors
Brehm, L., Christensen, I. T., Nielsen, Birgitte, Reinhardt, A., Ebert, B., Madsen, Ulf, Jørgensen, Flemming Steen, Hansen, J. J. & Krogsgaard-Larsen, Povl, 1990, Frontiers in Drug Research; Alfred Benzon Symposium 28. Jensen, B., Jørgensen, F. S. & Kofod, H. (eds.). Copenhagen: Munksgaard , p. 92-105 14 p.Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research › peer-review
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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
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Correlations between Core Photoionization Energies (EB1s) and Gas-Phase Basicity. A General Method for Determining Sites of Protonation and Intramolecular Ion Reorganization Energies
Buschek, J. M., Jørgensen, Flemming Steen & Brown, R. S., 1 Jan 1982, In: Journal of the American Chemical Society. 104, 19, p. 5019-5025 7 p.Research output: Contribution to journal › Journal article › Research › peer-review
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Towards an identification of the pyrethroid pharmacophore. A molecular modelling study of some pyrethroid esters
Byberg, J. R., Jørgensen, Flemming Steen & Klemmensen, P. D., 1987, In: Journal of Computer - Aided Molecular Design. 1, 3, p. 181-95 15 p.Research output: Contribution to journal › Journal article › Research › peer-review
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Substrate-enzyme interactions and catalytic mechanism in phospholipase C: a molecular modeling study using the GRID program
Byberg, J. R., Jørgensen, Flemming Steen, Hansen, S. & Hough, E., 1992, In: Proteins: Structure, Function, and Bioinformatics. 12, 4, p. 331-8 8 p.Research output: Contribution to journal › Journal article › Research › peer-review
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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 journal › Journal article › Research › peer-review
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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
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3-mercaptopropanal
Carlsen, L., Jørgensen, Flemming Steen, Egsgaard, H. & Nicolaisen, F. M., 1 Jan 1984, In: Journal of the Chemical Society, Perkin Transactions 2. 4, p. 609-613 5 p.Research output: Contribution to journal › Journal article › Research › peer-review
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Molecular mechanics calculations of proteins. Comparison of different energy minimization strategies
Christensen, I. T. & Jørgensen, Flemming Steen, 1997, In: Journal of Biomolecular Structure & Dynamics. 15, 3, p. 473-88 16 p.Research output: Contribution to journal › Journal article › Research › peer-review
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Three-dimensional structures of human phospholipase A2 from pancreas and synovial fluid by model building
Christensen, I. T., Jørgensen, Flemming Steen, Svensson, L. A. & Högberg, T., 1993, In: Drug Design and Discovery. 10, 2, p. 101-13 13 p.Research output: Contribution to journal › Journal article › Research › peer-review
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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 journal › Journal article › Research › peer-review
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Primary structure and conformational analysis of peptide methionine-tyrosine, a peptide related to neuropeptide Y and peptide YY isolated from lamprey intestine
Conlon, J. M., Bjørnholm, B., Jørgensen, Flemming Steen, Youson, J. H. & Schwartz, T. W., 1991, In: European Journal of Biochemistry. 199, 2, p. 293-8 6 p.Research output: Contribution to journal › Journal article › Research › peer-review
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Number connection test and continuous reaction times in assessment of organic and metabolic encephalopathy: a comparative study
Elsass, P., Christensen, S. E., Jørgensen, Flemming Steen, Mortensen, Erik Lykke & Vilstrup, H., Feb 1984, In: Acta Pharmacologica et Toxicologica. 54, 2, p. 115-9 5 p.Research output: Contribution to journal › Journal article › Research › peer-review
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Structural analysis of Cytochrome P450 BM3 mutant M11 in complex with dithiothreitol
Frydenvang, Karla Andrea, Verkade-Vreeker, M. C. A., Dohmen, F., Commandeur, J. N. M., Rafiq, M., Mirza, Osman Asghar, Jørgensen, Flemming Steen & Geerke, D. P., 2019, In: PLoS ONE. 14, 5, 15 p., e0217292.Research output: Contribution to journal › Journal article › Research › peer-review
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Crystal and Molecular Structure of anti-Sesquinorbornene
Gaihede, M., Jørgensen, Flemming Steen, Kopecky, K. R., Watson, W. H. & Kashyap, R. P., 1 Jan 1985, In: Journal of Organic Chemistry. 50, 22, p. 4395-4397 3 p.Research output: Contribution to journal › Journal article › Research › peer-review
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Sulfur-Bridged pen-Naphthalenes: Synthesis, Conformational Analysis, and Photoelectron Spectroscopy of the Mono-, Di-, and Trisulfides of 1,8-Dimethylnaphthalene
Guttenberger, H. G., Bestmann, H. J., Dickert, F. L., Jørgensen, Flemming Steen & Snyder, J. P., 1 Jan 1981, In: Journal of the American Chemical Society. 103, 1, p. 159-168 10 p.Research output: Contribution to journal › Journal article › Research › peer-review
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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
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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 proceeding › Book chapter › Research › peer-review
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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
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Cyclynes. Part 5. Pericyclynes: "exploded cycloalkanes" with unusual orbital interactions and conformational properties. MM2 and STO-3G calculations, x-ray crystal structures, photoelectron spectra, and electron transmission spectra
Houk, K. N., Scott, L. T., Rondan, N. G., Spellmeyer, D. C., Reinhardt, G., Hyun, J. L., DeCicco, G. J., Weiss, R., Chen, M. H. M., Bass, L. S., Clardy, J., Jørgensen, Flemming Steen, Eaton, T. A., Sarkozi, V., Petit, C. M., Ng, L. & Jordan, K. D., 1985, In: Journal of the American Chemical Society. 107, 23, p. 6556-6562 7 p.Research output: Contribution to journal › Journal article › Research › peer-review
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Update on protein structure prediction: Results of the 1995 IRBM workshop
Hubbard, T., Tramontano, A., Barton, G., Jones, D., Sippl, M., Valencia, A., Lesk, A., Moult, J., Rost, B., Sander, C., Schneider, R., Lahm, A., Leplae, R., Buta, C., Eisenstein, M., Fjellstrom, O., Floeckner, H., Grossmann, JG., Hansen, J., Citterich, MH. & 12 others, , 1996, In: Folding and Design. 1, 3, p. R55-R63Research output: Contribution to journal › Journal article › Research › peer-review
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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. 46-52Research output: Contribution to journal › Journal article › Research › peer-review
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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 journal › Journal article › Research › peer-review
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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. 358-369Research output: Contribution to journal › Journal article › Research › peer-review
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Biased cytochrome P450-mediated metabolism via small-molecule ligands binding P450 oxidoreductase
Jensen, S. B., Thodberg, S., Parween, S., Moses, M. E., Hansen, Cecilie Ida Cetti, Thomsen, J., Sletfjerding, M. B., Knudsen, C., Del Giudice, R., Lund, P. M., Castaño, P. R., Bustamante, Y. G., Velazquez, M. N. R., Jørgensen, Flemming Steen, Pandey, A. V., Laursen, Tomas, Møller, Birger Lindberg & Hatzakis, Nikos, 2021, In: Nature Communications. 12, 1, 14 p., 2260.Research output: Contribution to journal › Journal article › Research › peer-review
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Is the unique benzodiazepine structure interacting with CYP enzymes to affect steroid synthesis in vitro?
Johannsen, Malene Louise, Munkboel, C. H., Jørgensen, Flemming Steen & Styrishave, Bjarne, 2021, In: Journal of Steroid Biochemistry and Molecular Biology. 205, 10 p., 105765.Research output: Contribution to journal › Journal article › Research › peer-review
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The Electronic Structure of β-Thioxoketones. A Photoelectron Spectroscopic Study of the Enol-Enethiol Tautomerism of Thioacetylacetone and Related Compounds
Jørgensen, Flemming Steen, Carlsen, L. & Duus, F., 1 Jan 1981, In: Journal of the American Chemical Society. 103, 6, p. 1350-1353 4 p.Research output: Contribution to journal › Journal article › Research › peer-review
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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
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Cyclic Acetals. Structural Analysis of 1,3‐Dioxepine and Related Compounds
Jørgensen, Flemming Steen, Gajhede, Michael & Frei, B., 1 Jan 1985, In: Helvetica Chimica Acta. 68, 8, p. 2148-2157 10 p.Research output: Contribution to journal › Journal article › Research › peer-review
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Polyethers. Structural analysis of the 1,4,5,8-tetraoxadecalins and 2,2'-bis(1,3-dioxolane) by photoelectron spectroscopy, molecular mechanics and molecular orbital calculations
Jørgensen, Flemming Steen, Nørskov-Lauritsen, L., Jensen, R. B. & Sshroll, G., 1 Jan 1981, In: Tetrahedron. 37, 21, p. 3671-3679 9 p.Research output: Contribution to journal › Journal article › Research › peer-review
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Search for a trans-Disulfide: Structural Analysis of Di-tert-adamantyl Disulfide by Photoelectron Spectroscopy, Derivation of σI (t-Ad), and Molecular Mechanics Calculations for Related Bulky Disulfides
Jørgensen, Flemming Steen & Snyder, J. P., 1 Jan 1980, In: Journal of Organic Chemistry. 45, 6, p. 1015-1020 6 p.Research output: Contribution to journal › Journal article › Research › peer-review
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1,2‐Oxathiolane – A Photoelectron Spectroscopic Study
Jørgensen, Flemming Steen & Carlsen, L., 1 Jan 1983, In: Chemische Berichte. 116, 6, p. 2374-2377 4 p.Research output: Contribution to journal › Journal article › Research › peer-review
ID: 1302104
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2006
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Synthesis and antiangiogenic activity of N-alkylated levamisole derivatives
Research output: Contribution to journal › Journal article › Research › peer-review
Published -
1967
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Forbedret optagelse af lægemidler i organismen: computeren viser vejen
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1525
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Design of prodrugs targeting the intestinal di/tri‐peptide transporter hPEPT1 (SLC15A1
Research output: Contribution to conference › Conference abstract for conference › Research › peer-review
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