Flemming Steen Jørgensen
Professor
Structural Biology
Universitetsparken 2
2100 København Ø
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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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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, O., 2012, In: Molecular Pharmaceutics. 5, 1, p. 117-127 11 p.Research output: Contribution to journal › Journal article › Research › peer-review
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cis-disulfides protelectron spectrum of a 6,7-dithiabicyclo[3.2.1]octane
Jørgensen, Flemming Steen & McCabe, P. H., 1983, In: Tetrahedron Letters. 24, 3, p. 319-322Research output: Contribution to journal › Journal article › Research › peer-review
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X-ray Photoelectron Spectroscopic Study of the Enol-Enethiol Tautomerism of Thioacetylacetone and Related β-Thioxoketones
Jørgensen, Flemming Steen, Brown, R. S., Carlsen, L. & Duus, F., 1 Jan 1982, In: Journal of the American Chemical Society. 104, 22, p. 5922-5926 5 p.Research output: Contribution to journal › Journal article › Research › peer-review
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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. 43-52Research output: Contribution to journal › Journal article › Research › peer-review
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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
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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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Towards an understanding of drug resistance in malaria: three-dimensional structure of Plasmodium falciparum dihydrofolate reductase by homology building
Lemcke, T., Christensen, I. T. & Jørgensen, Flemming Steen, 1999, In: Bioorganic & Medicinal Chemistry. 7, 6, p. 1003-11 9 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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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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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
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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. 888-897Research 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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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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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
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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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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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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
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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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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
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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
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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
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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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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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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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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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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. 1265-1270Research 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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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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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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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
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Risiko for hjerteflimmer afsløres med computermodel
Taboureau, O., Brunak, S. & Jørgensen, Flemming Steen, 2008, In: Lægemiddelforskning. p. 31-33Research output: Contribution to journal › Journal article › Communication
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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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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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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. 233-241Research 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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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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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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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
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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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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
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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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Photoelectron spectra of some decahydrotrimethanoanthracenes: Observation of large π orbital interactions through six bonds and an apparent violation of the trans rule
Jørgensen, Flemming Steen, Paddon-Row, M. N. & Patney, H. K., 1 Jan 1983, In: Journal of the Chemical Society, Chemical Communications. 10, p. 573-575 3 p.Research output: Contribution to journal › Journal article › Research › peer-review
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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
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On the presence of extremely short H...H non-bonded distances, and orbital interactions through eight s bonds or through two methylene groups in tetramethanonaphthacenes.
Jørgensen, Flemming Steen & Paddon-Row, M. N., 1983, In: Tetrahedron Letters. 24, 48, p. 5415 - 5418Research output: Contribution to journal › Journal article › Research › peer-review
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On the molecular and electronic features of syn- and anti-sequinorbornene
Jørgensen, Flemming Steen, 1983, In: Tetrahedron Letters. 24, 47, p. 5289 - 5292Research 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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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. 6542–6566Research output: Contribution to journal › Review › Research › peer-review
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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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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
ID: 1302104
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2005
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Synthesis and antiangiogenic activity of N-alkylated levamisole derivatives
Research output: Contribution to journal › Journal article › Research › peer-review
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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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