Anders Karlén
Professor at Department of Medicinal Chemistry; Drug Design and Discovery
- Telephone:
- +46 18 471 42 93
- Mobile phone:
- +46 70 167 91 77
- E-mail:
- anders.karlen@ilk.uu.se
- Visiting address:
- Biomedicinskt Centrum BMC, Husargatan 3
- Postal address:
- Box 574
751 23 UPPSALA
- CV:
- Download CV
Short presentation
Anders Karlén received his PhD in 1989 and became a full professor in 2007. He specializes in the field of computational medicinal chemistry and focuses on hit identification and lead development. His group works closely on targets of importance in infectious diseases with a focus on Tuberculosis and Gram-negative infections. He is the overall medicinal chemistry project leader for drug discovery efforts currently directed at five different anti-bacterial targets.

Publications
Recent publications
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Innovative roadmaps for sustainable antimicrobial resistance interventions
Part of Science Translational Medicine, 2026
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The AMR Accelerator: from individual organizations to efficient antibiotic development partnerships
Part of Nature reviews. Drug discovery, p. 1-2, 2025
- DOI for The AMR Accelerator: from individual organizations to efficient antibiotic development partnerships
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Part of Proceedings of the National Academy of Sciences of the United States of America, 2024
- DOI for Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria
- Download full text (pdf) of Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria
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Part of European Journal of Medicinal Chemistry, 2024
- DOI for Design, synthesis, and in vitro biological evaluation of meta-sulfonamidobenzamide-based antibacterial LpxH inhibitors
- Download full text (pdf) of Design, synthesis, and in vitro biological evaluation of meta-sulfonamidobenzamide-based antibacterial LpxH inhibitors
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Novel Allosteric Mechanism of Dual p53/MDM2 and p53/MDM4 Inhibition by a Small Molecule
Part of Frontiers in Molecular Biosciences, 2022
- DOI for Novel Allosteric Mechanism of Dual p53/MDM2 and p53/MDM4 Inhibition by a Small Molecule
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All publications
Articles in journal
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The AMR Accelerator: from individual organizations to efficient antibiotic development partnerships
Part of Nature reviews. Drug discovery, p. 1-2, 2025
- DOI for The AMR Accelerator: from individual organizations to efficient antibiotic development partnerships
- Download full text (pdf) of The AMR Accelerator: from individual organizations to efficient antibiotic development partnerships
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Part of Proceedings of the National Academy of Sciences of the United States of America, 2024
- DOI for Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria
- Download full text (pdf) of Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria
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Part of European Journal of Medicinal Chemistry, 2024
- DOI for Design, synthesis, and in vitro biological evaluation of meta-sulfonamidobenzamide-based antibacterial LpxH inhibitors
- Download full text (pdf) of Design, synthesis, and in vitro biological evaluation of meta-sulfonamidobenzamide-based antibacterial LpxH inhibitors
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Novel Allosteric Mechanism of Dual p53/MDM2 and p53/MDM4 Inhibition by a Small Molecule
Part of Frontiers in Molecular Biosciences, 2022
- DOI for Novel Allosteric Mechanism of Dual p53/MDM2 and p53/MDM4 Inhibition by a Small Molecule
- Download full text (pdf) of Novel Allosteric Mechanism of Dual p53/MDM2 and p53/MDM4 Inhibition by a Small Molecule
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Part of ACS - Infectious Diseases, p. 482-498, 2022
- DOI for Synthesis and in vitro biological evaluation of quinolinyl pyrimidines targeting type II NADH-dehydrogenase (NDH-2)
- Download full text (pdf) of Synthesis and in vitro biological evaluation of quinolinyl pyrimidines targeting type II NADH-dehydrogenase (NDH-2)
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Bacterial type I signal peptidase inhibitors-Optimized hits from nature
Part of European Journal of Medicinal Chemistry, 2022
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Part of Bioorganic & Medicinal Chemistry, 2021
- DOI for Computational studies of molecular pre-organization through macrocyclization: Conformational distribution analysis of closely related non-macrocyclic and macrocyclic analogs
- Download full text (pdf) of Computational studies of molecular pre-organization through macrocyclization: Conformational distribution analysis of closely related non-macrocyclic and macrocyclic analogs
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ENABLE: an engine for European antibacterial drug discovery and development
Part of Nature reviews. Drug discovery, p. 407-408, 2021
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Part of European Journal of Medicinal Chemistry, 2021
- DOI for Antibacterial sulfonimidamide-based oligopeptides as type I signal peptidase inhibitors: Synthesis and biological evaluation
- Download full text (pdf) of Antibacterial sulfonimidamide-based oligopeptides as type I signal peptidase inhibitors: Synthesis and biological evaluation
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Conformational Analysis of Macrocycles: Comparing General and Specialized Methods
Part of Journal of Computer-Aided Molecular Design, p. 231-252, 2020
- DOI for Conformational Analysis of Macrocycles: Comparing General and Specialized Methods
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Part of European Journal of Medicinal Chemistry, p. 1346-1360, 2018
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Docking of Macrocycles: Comparing Rigid and Flexible Docking in Glide
Part of Journal of Chemical Information and Modeling, p. 190-202, 2017
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Part of Bioorganic & Medicinal Chemistry, p. 897-911, 2017
- DOI for Design, synthesis and in vitro biological evaluation of oligopeptides targeting E. coli type I signal peptidase (LepB)
- Download full text (pdf) of Design, synthesis and in vitro biological evaluation of oligopeptides targeting E. coli type I signal peptidase (LepB)
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Predicting the Rate of Skin Penetration Using an Aggregated Conformal Prediction Framework
Part of Molecular Pharmaceutics, p. 1571-1576, 2017
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Part of Journal of Chemical Information and Modeling, p. 343-353, 2015
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Part of ACS Medicinal Chemistry Letters, p. 178-182, 2015
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Part of Organic and biomolecular chemistry, p. 2612-2621, 2015
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Part of ChemistryOpen, p. 342-362, 2015
- DOI for Optimization and Evaluation of 5-Styryl-Oxathiazol-2-one Mycobacterium tuberculosis Proteasome Inhibitors as Potential Antitubercular Agents
- Download full text (pdf) of Optimization and Evaluation of 5-Styryl-Oxathiazol-2-one Mycobacterium tuberculosis Proteasome Inhibitors as Potential Antitubercular Agents
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Part of Bioorganic & Medicinal Chemistry, p. 6595-6615, 2014
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Novel Peptidomimetic Hepatitis C Virus NS3/4A Protease Inhibitors Spanning the P2–P1′ Region
Part of ACS Medicinal Chemistry Letters, p. 249-254, 2014
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Part of Journal of Medicinal Chemistry, p. 1790-1801, 2014
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Part of Bioorganic & Medicinal Chemistry, p. 1992-2000, 2013
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DXR Inhibition by Potent Mono- and Disubstituted Fosmidomycin Analogues
Part of Journal of Medicinal Chemistry, p. 6190-6199, 2013
- DOI for DXR Inhibition by Potent Mono- and Disubstituted Fosmidomycin Analogues
- Download full text (pdf) of DXR Inhibition by Potent Mono- and Disubstituted Fosmidomycin Analogues
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Part of MedChemComm, p. 620-626, 2012
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Virtual Screening Data Fusion Using Both Structure- and Ligand-Based Methods
Part of Journal of Chemical Information and Modeling, p. 225-232, 2012
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Trisubstituted Imidazoles as Mycobacterium tuberculosis Glutamine Synthetase Inhibitors
Part of Journal of Medicinal Chemistry, p. 2894-2898, 2012
- DOI for Trisubstituted Imidazoles as Mycobacterium tuberculosis Glutamine Synthetase Inhibitors
- Download full text (pdf) of Trisubstituted Imidazoles as Mycobacterium tuberculosis Glutamine Synthetase Inhibitors
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Part of Journal of Medicinal Chemistry, p. 4964-4976, 2011
- DOI for Design, Synthesis, and X-ray Crystallographic Studies of alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium tuberculosis 1-Deoxy-D-xylulose 5-Phosphate Reductoisomerase
- Download full text (pdf) of Design, Synthesis, and X-ray Crystallographic Studies of alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium tuberculosis 1-Deoxy-D-xylulose 5-Phosphate Reductoisomerase
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Part of Bioorganic & Medicinal Chemistry Letters, p. 5403-5407, 2011
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Part of Journal of Medicinal Chemistry, p. 3779-3792, 2011
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Part of Bioorganic & Medicinal Chemistry, p. 4917-4927, 2011
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Part of Journal of Organic Chemistry, p. 8986-8998, 2011
- DOI for Synthesis of Functionalized Cinnamaldehyde Derivatives by an Oxidative Heck Reaction and Their Use as Starting Materials for Preparation of Mycobacterium tuberculosis 1-Deoxy-D-xylulose-5-phosphate Reductoisomerase Inhibitors
- Download full text (pdf) of Synthesis of Functionalized Cinnamaldehyde Derivatives by an Oxidative Heck Reaction and Their Use as Starting Materials for Preparation of Mycobacterium tuberculosis 1-Deoxy-D-xylulose-5-phosphate Reductoisomerase Inhibitors
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Part of Journal of Peptide Science, p. 159-164, 2010
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Part of Bioorganic & Medicinal Chemistry, p. 5413-5424, 2010
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Part of Antiviral Therapy, p. 841-852, 2010
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Discovery of Achiral Inhibitors of the Hepatitis C Virus NS3 Protease based on 2(1H)-pyrazinones
Part of Bioorganic & Medicinal Chemistry, p. 6512-6525, 2010
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Part of Journal of Medicinal Chemistry, p. 8059-8071, 2010
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Synthesis of a small library of non-symmetric cyclic sulfamide HIV-1 protease inhibitors
Part of Tetrahedron, p. 4049-4056, 2010
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Part of Journal of Molecular Biology, p. 504-513, 2009
- DOI for Structural basis for the inhibition of Mycobacterium tuberculosis glutamine synthetase by novel ATP-competitive inhibitors
- Download full text (pdf) of Structural basis for the inhibition of Mycobacterium tuberculosis glutamine synthetase by novel ATP-competitive inhibitors
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Part of Bioorganic & Medicinal Chemistry Letters, p. 4790-4793, 2009
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Modeling binding modes of angiotensin II and pseudopeptide analogues to the AT2 receptor
Part of Journal of Molecular Graphics and Modelling, p. 991-1003, 2008
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Hepatitis C Virus NS3 Protease Inhibitors Comprising a Novel Aromatic P1 Moiety
Part of Bioorganic & Medicinal Chemistry, p. 2955-2967, 2008
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Part of Journal of Medicinal Chemistry, p. 2777-2786, 2008
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Part of Bioorganic & Medicinal Chemistry, p. 5590-5605, 2008
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Part of Bioorganic & Medicinal Chemistry, p. 5501-5513, 2008
- DOI for Evaluation of the amino acid binding site of Mycobacterium tuberculosis glutamine synthetase for drug discovery
- Download full text (pdf) of Evaluation of the amino acid binding site of Mycobacterium tuberculosis glutamine synthetase for drug discovery
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Part of Journal of Molecular Graphics and Modelling, p. 1237-1251, 2008
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Ligands to the (IRAP)/AT4 receptor encompassing a 4-hydroxydiphenylmethane scaffold replacing Tyr2
Part of Bioorganic & Medicinal Chemistry, p. 6924-6935, 2008
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Part of Journal of Peptide Science, p. 822-832, 2007
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Part of Bioorganic & Medicinal Chemistry, p. 7795-7802, 2007
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Small potent ligands to the insulin-regulated aminopeptidase (IRAP)/AT(4) receptor
Part of Journal of Peptide Science, p. 434-444, 2007
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Part of Journal of Molecular Graphics and Modelling, p. 145-153, 2007
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Part of Journal of Medicinal Chemistry, p. 1711-1715, 2007
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Part of Combinatorial chemistry & high throughput screening, p. 783-789, 2007
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Selective angiotensin II AT(2) receptor agonists devoid of the imidazole ring system
Part of Bioorganic & Medicinal Chemistry, p. 7166-7183, 2007
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Focused hierarchical design of peptide libraries - follow the lead
Part of Journal of Chemometrics, p. 486-495, 2007
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Phenylglycine as a Novel P2 Scaffold in Hepatitis C Virus NS3 Protease Inhibitors
Part of Bioorganic & Medicinal Chemistry, p. 1448-1474, 2007
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Quantitative structure-activity relationships of pine weevil antifeedants, a multivariate approach
Part of Journal of Agricultural and Food Chemistry, p. 9365-9372, 2007
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Improved CoMFA modeling by optimization of settings.
Part of J Chem Inf Model, p. 355-64, 2006
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Short pseudopeptides containing turn scaffolds with high AT(2) receptor affinity
Part of Bioorganic & Medicinal Chemistry, p. 5963-5972, 2006
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Part of Journal of Medicinal Chemistry, p. 6133-6137, 2006
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Part of Bioorganic & Medicinal Chemistry, p. 5303-5315, 2006
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Part of Journal of Medicinal Chemistry, p. 7160-7168, 2006
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Part of J Med Chem, p. 6660-71, 2006
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Part of Tetrahedron, p. 4671-4675, 2006
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Ligand bias of scoring functions in structure-based virtual screening.
Part of J Chem Inf Model, p. 1334-43, 2006
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Cyclic sulfamide HIV-1 protease inhibitors, with sidechains spanning from P2/P2' to P1/P1'.
Part of Bioorg Med Chem, p. 755-64, 2005
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Part of Journal of Medicinal Chemistry, p. 4009-4024, 2005
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A new tool in peptide engineering: a photoswitchable stilbene-type beta-hairpin mimetic.
Part of Chemistry, p. 403-12, 2005
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Part of Bioorg Med Chem, p. 5371-90, 2005
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Part of Journal of Medicinal Chemistry, p. 859-870, 2004
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Synthesis and AT2 receptor-binding properties of angiotensin II analogues
Part of Journal of Peptide Research, p. 194-201, 2004
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First Reported Nonpeptide AT1 Receptor Agonist (L-162,313) Acts as an AT2 Receptor Agonist in Vivo
Part of Journal of Medicinal Chemistry, p. 1536-1546, 2004
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Mycobacterium tuberculosis ribose-5-phosphate isomerase has a known fold, but a novel active site.
Part of J Mol Biol, p. 799-809, 2004
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Part of J Med Chem, p. 6009-19, 2004
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Part of Drug Metab Dispos, p. 1218-29, 2004
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Part of J Med Chem, p. 907-14, 2004
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Part of Journal of Medicinal Chemistry, p. 1767-1777, 2002
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Part of J Pharm Pharmacol, p. 1477, 2001
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Part of Journal of Biomolecular Screening, p. 353-359, 2000
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Angiotensin II analogues encompassing 5,9-and 5,10-fused thiabicycloalkane tripeptide mimetics
Part of Journal of Medicinal Chemistry, p. 4524-4537, 1999
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Part of Journal of Medicinal Chemistry, p. 4054-4061, 1999
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Unexpected binding mode of a cyclic sulfamide HIV-1 protease inhibitor
Part of Journal of Medicinal Chemistry, p. 898-902, 1997
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Synthesis of C-2 symmetric potential inhibitors of HIV-1 protease from D-mannitol
Part of Journal of carbohydrate chemistry, p. 555-569, 1996
Articles, review/survey
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Innovative roadmaps for sustainable antimicrobial resistance interventions
Part of Science Translational Medicine, 2026
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Towards the sustainable discovery and development of new antibiotics
Part of Nature Reviews Chemistry, p. 726-749, 2021
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The global preclinical antibacterial pipeline
Part of Nature Reviews Microbiology, p. 275-285, 2020
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Part of Journal of Antimicrobial Chemotherapy, p. 290-295, 2016
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Discovery and preclinical development of new antibiotics
Part of Upsala Journal of Medical Sciences, p. 162-169, 2014