Flemming Steen Jørgensen

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Lars OlsenDepartment of Drug Design and Pharmacology, University of CopenhagenVerified email at novozymes.com
Vasanthanathan PoongavanamUppsala UniversityVerified email at kemi.uu.se
Carsten Uhd NielsenDepartment of Physics, Chemistry and Pharmacy, Faculty of Sciences, University of Southern DenmarkVerified email at sdu.dk
Søren BrunakProfessor of Disease Systems Biology, University of CopenhagenVerified email at cpr.ku.dk
Birger BrodinProfessor, CNS drug delivery, University of CopenhagenVerified email at sund.ku.dk
Marco van de WeertAssociate Professor in Biologics formulation, University of CopenhagenVerified email at sund.ku.dk
Lars HemmingsenDepartment of Chemistry, University of CopenhagenVerified email at chem.ku.dk
R. Stan BrownProfessor of Chemistry, Queen's UniversityVerified email at chem.queensu.ca
Michael GajhedeProfessor i proteinkrystallografi, Københavns UniversitetVerified email at sund.ku.dk
Tudor OpreaEmeritus Professor of Medicine, UNM SOMVerified email at salud.unm.edu
Anders Skov KristensenUniversity of CopenhagenVerified email at sund.ku.dk
Kasper B. HansenAssociate Professor, University of MontanaVerified email at mso.umt.edu
Qiyuan LiSchool of Medicine, Xiamen UniversityVerified email at xmu.edu.cn
Henrik LeffersSenior Scientist, University of Copenhagen, Denmark. henrik@leffers.proVerified email at leffers.pro
Patrik RydbergAssociate Director, Computational Chemmistry, Optibrium Ltd.Verified email at optibrium.com
Jukka Rantanen, professor PhDUniversity of CopenhagenVerified email at sund.ku.dk
Hans Bräuner-OsborneProfessor of Molecular Pharmacology, University of CopenhagenVerified email at sund.ku.dk
Vignir IsbergSenior Department Manager, NovozymesVerified email at vignir.org
David N. CooperProfessor of Human Molecular Genetics, Cardiff University, UKVerified email at cardiff.ac.uk
Peter BrossResearch Unit for Molecular Medicine, Aarhus University HospitalVerified email at clin.au.dk

Flemming Steen Jørgensen

Professor, Department of Drug Design and Pharmacology, University of Copenhagen

Verified email at sund.ku.dk

Molecular modelling computational chemistry structure-activity relationship


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Study on the binding of Thioflavin T to β-sheet-rich and non-β-sheet cavities M Groenning, L Olsen, M van de Weert, JM Flink, S Frokjaer, ... Journal of structural biology 158 (3), 358-369, 2007	283	2007
Prediction methods and databases within chemoinformatics: emphasis on drugs and drug candidates SÓ Jónsdóttir, FS Jørgensen, S Brunak Bioinformatics 21 (10), 2145-2160, 2005	140	2005
A new concept for multidimensional selection of ligand conformations (MultiSelect) and multidimensional scoring (MultiScore) of protein− ligand binding affinities GE Terp, BN Johansen, IT Christensen, FS Jørgensen Journal of medicinal chemistry 44 (14), 2333-2343, 2001	137	2001
Evaluation and comparison of 3D-QSAR CoMSIA models for CDK1, CDK5, and GSK-3 inhibition by paullones C Kunick, K Lauenroth, K Wieking, X Xie, C Schultz, R Gussio, ... Journal of Medicinal Chemistry 47 (1), 22-36, 2004	136	2004
GABAA receptor agonists, partial agonists, and antagonists. Design and therapeutic prospects P Krogsgaard-Larsen, B Frølund, FS Joergensen, A Schousboe Journal of medicinal chemistry 37 (16), 2489-2505, 1994	129	1994
Classification of cytochrome P450 1A2 inhibitors and noninhibitors by machine learning techniques P Vasanthanathan, O Taboureau, C Oostenbrink, NPE Vermeulen, ... Drug Metabolism and Disposition 37 (3), 658-664, 2009	115	2009
Mutational mapping and modeling of the binding site for (S)-citalopram in the human serotonin transporter J Andersen, L Olsen, KB Hansen, O Taboureau, FS Jørgensen, ... Journal of Biological Chemistry 285 (3), 2051-2063, 2010	108	2010
hERG classification model based on a combination of support vector machine method and GRIND descriptors Q Li, FS Jørgensen, T Oprea, S Brunak, O Taboureau Molecular pharmaceutics 5 (1), 117-127, 2008	108	2008
Structural differences of matrix metalloproteinases with potential implications for inhibitor selectivity examined by the GRID/CPCA approach GE Terp, G Cruciani, IT Christensen, FS Jørgensen Journal of medicinal chemistry 45 (13), 2675-2684, 2002	104	2002
Prediction of cytochrome P450 mediated metabolism L Olsen, C Oostenbrink, FS Jørgensen Advanced drug delivery reviews 86, 61-71, 2015	98	2015
Identification of a gene on chromosome 12q22 uniquely overexpressed in chronic lymphocytic leukemia AM Buhl, J Jurlander, FS Jørgensen, AM Ottesen, JB Cowland, ... Blood 107 (7), 2904-2911, 2006	95	2006
Prediction of pH-dependent aqueous solubility of druglike molecules NT Hansen, I Kouskoumvekaki, FS Jørgensen, S Brunak, SO Jonsdottir Journal of chemical information and modeling 46 (6), 2601-2609, 2006	91	2006
Virtual screening and prediction of site of metabolism for cytochrome P450 1A2 ligands P Vasanthanathan, J Hritz, O Taboureau, L Olsen, F Steen Jørgensen, ... Journal of chemical information and modeling 49 (1), 43-52, 2009	84	2009
Recent advances in GABA agonists, antagonists and uptake inhibitors: structure–activity relationships and therapeutic potential P KROGSGAARD-LARSEN, H HJEDS, E FALCH, FS JØRGENSEN, ... Advances in drug research 17, 381-456, 1988	80	1988
New leads of metallo-β-lactamase inhibitors from structure-based pharmacophore design L Olsen, S Jost, HW Adolph, I Pettersson, L Hemmingsen, FS Jørgensen Bioorganic & medicinal chemistry 14 (8), 2627-2635, 2006	68	2006
Solvent diversity in polymorph screening M Allesø, F Van Den Berg, C Cornett, FS Jørgensen, B Halling-Sørensen, ... Journal of pharmaceutical sciences 97 (6), 2145-2159, 2008	64	2008
Towards an understanding of drug resistance in malaria: three-dimensional structure of Plasmodium falciparum dihydrofolate reductase by homology building T Lemcke, IT Christensen, FS Jørgensen Bioorganic & medicinal chemistry 7 (6), 1003-1011, 1999	61	1999
Cyclynes. Part 5. Pericyclynes:" exploded cycloalkanes" with unusual orbital interactions and conformational properties. MM2 and STO-3G calculations, x-ray crystal structures … KN Houk, LT Scott, NG Rondan, DC Spellmeyer, G Reinhardt, JL Hyun, ... Journal of the American Chemical Society 107 (23), 6556-6562, 1985	61	1985
Primary structure and conformational analysis of peptide methionine—tyrosine, a peptide related to neuropeptide Y and peptide YY isolated from lamprey intestine JM CONLON, B BJØRNHOLM, FS JØRGENSEN, JH YOUSON, ... European journal of biochemistry 199 (2), 293-298, 1991	59	1991
Homology modelling of the GABA transporter and analysis of tiagabine binding S Skovstrup, O Taboureau, H Bräuner‐Osborne, FS Jørgensen ChemMedChem 5 (7), 986-1000, 2010	56	2010

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