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
Michael GajhedeProfessor i proteinkrystallografi, Københavns UniversitetVerified email at sund.ku.dk
R. Stan BrownProfessor of Chemistry, Queen's UniversityVerified email at chem.queensu.ca
Tudor OpreaCEO, Expert Systems IncVerified email at expertsystems.inc
Qiyuan LiSchool of Medicine, Xiamen UniversityVerified email at xmu.edu.cn
Anders Skov KristensenUniversity of CopenhagenVerified email at sund.ku.dk
Kasper B. HansenAssociate Professor, University of MontanaVerified email at mso.umt.edu
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	298	2007
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	160	1994
Prediction methods and databases within chemoinformatics: emphasis on drugs and drug candidates SÓ Jónsdóttir, FS Jørgensen, S Brunak Bioinformatics 21 (10), 2145-2160, 2005	146	2005
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	138	2004
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	138	2001
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	117	2009
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	113	2008
Prediction of cytochrome P450 mediated metabolism L Olsen, C Oostenbrink, FS Jørgensen Advanced drug delivery reviews 86, 61-71, 2015	111	2015
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
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	105	2002
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	101	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	100	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	88	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	85	1988
SMARTCyp 3.0: enhanced cytochrome P450 site-of-metabolism prediction server L Olsen, M Montefiori, KP Tran, FS Jørgensen Bioinformatics 35 (17), 3174-3175, 2019	69	2019
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	69	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	68	2008
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, TW Schwartz European journal of biochemistry 199 (2), 293-298, 1991	62	1991
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	62	1985
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	61	2010

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