Flemming Steen Jørgensen
Professor
Structural Biology
Universitetsparken 2
2100 København Ø
- 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. 315-325Research 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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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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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
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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
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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
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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
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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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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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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
- 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. 1265-1270Research output: Contribution to journal › Journal article › Research › peer-review
- 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
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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
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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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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
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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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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. 375-387Research 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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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
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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
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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. e39360Research output: Contribution to journal › Journal article › Research › peer-review
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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. 986-1000Research output: Contribution to journal › Journal article › Research › peer-review
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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
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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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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
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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. 409-419Research 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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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. 1347-1354Research 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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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. 658-664Research output: Contribution to journal › Journal article › Research › peer-review
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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. 853-859Research output: Contribution to journal › Journal article › Research › peer-review
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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
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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
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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. 385-396Research 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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Hvad har varme at gøre med lægemidler?
Olsen, L., Kasper, C., Kastrup, Jette Sandholm Jensen, Gajhede, Michael & Jørgensen, Flemming Steen, 2006, In: Lægemiddelforskning. p. 31-33Research output: Contribution to journal › Journal article › Communication
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Computeren kan forudsige lægemidlers omdannelse
Olsen, L., Bergmann, R. & Jørgensen, Flemming Steen, 2004, In: Lægemiddelforskning 2004.Research output: Contribution to journal › Journal article › Research
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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
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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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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
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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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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
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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. 217-226Research output: Contribution to journal › Journal article › Research › peer-review
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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
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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. 192-205Research 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
- 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
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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. 4237-4244Research output: Contribution to journal › Journal article › Research › peer-review
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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. 3781-3801Research 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
ID: 1302104
Most downloads
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2064
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Synthesis and antiangiogenic activity of N-alkylated levamisole derivatives
Research output: Contribution to journal › Journal article › Research › peer-review
Published -
1974
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Forbedret optagelse af lægemidler i organismen: computeren viser vejen
Research output: Contribution to journal › Journal article › Research
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1544
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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
Published