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Flemming Steen Jørgensen

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Publications

TOP 3
Jacob Poehlsgaard; Kasper Harpsøe; Flemming Steen Jørgensen; Lars Olsen
A robust force field based method for calculating conformational energies of charged drug-like molecules.
Anders N Hansen; Christine D Bendiksen; Tina Friis; Flemming Steen Jørgensen; Christian A Olsen; Dan Staerk; Lene Sylvest; Gunnar Houen
Synthesis and antiangiogenic activity of N-alkylated levamisole derivatives.
Søren Skovstrup; Olivier Taboureau; Laurent David; Flemming Steen Jørgensen
A steered molecular dynamics study of binding and translocation processes in the GABA transporter.

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All Publications

2012: Jacob Poehlsgaard; Kasper Harpsøe; Flemming Steen Jørgensen; Lars Olsen
A robust force field based method for calculating conformational energies of charged drug-like molecules.
Journal of chemical information and modeling 2012;52(2):409-19.
2012: Anders N Hansen; Christine D Bendiksen; Tina Friis; Flemming Steen Jørgensen; Christian A Olsen; Dan Staerk; Lene Sylvest; Gunnar Houen
Synthesis and antiangiogenic activity of N-alkylated levamisole derivatives.
PloS one 2012;7(9):e45405.
2012: Søren Skovstrup; Olivier Taboureau; Laurent David; Flemming Steen Jørgensen
A steered molecular dynamics study of binding and translocation processes in the GABA transporter.
PloS one 2012;7(6):e39360.
2011: Olivier Taboureau; Flemming Steen Jørgensen
In silico predictions of hERG channel blockers in drug discovery: from ligand-based and target-based approaches to systems chemical biology.
Combinatorial chemistry & high throughput screening 2011;14(5):375-87.
2011: Vignir Isberg; Thomas Balle; Tommy Sander; Flemming Steen Jørgensen; David E Gloriam
G protein- and agonist-bound serotonin 5-HT2A receptor model activated by steered molecular dynamics simulations.
Journal of chemical information and modeling 2011;51(2):315-25.
2010: Diana Højmark Omkvist; Simon Birksø Larsen; Carsten Uhd Nielsen; Bente Steffansen; Lars Olsen; Flemming Steen Jørgensen; Birger Brodin
A quantitative structure-activity relationship for translocation of tripeptides via the human proton-coupled peptide transporter, hPEPT1 (SLC15A1).
The AAPS journal 2010;12(3):385-96.
2010: Vasanthanathan Poongavanam; Lars Olsen; Flemming Steen Jørgensen; Nico P E Vermeulen; Chris Oostenbrink
Computational prediction of binding affinity for CYP1A2-ligand complexes using empirical free energy calculations.
Drug metabolism and disposition: the biological fate of chemicals 2010;38(8):1347-54.
2010: Søren Skovstrup; Olivier Taboureau; Hans Bräuner-Osborne; Flemming Steen Jørgensen
Homology modelling of the GABA transporter and analysis of tiagabine binding.
ChemMedChem 2010;5(7):986-1000.
2009: Simon Birksø Larsen; Diana Højmark Omkvist; Birger Brodin; Carsten Uhd Nielsen; Bente Steffansen; Lars Olsen; Flemming Steen Jørgensen
Discovery of ligands for the human intestinal Di-/Tripeptide transporter (hPEPT1) using a QSAR-assisted virtual screening strategy.
ChemMedChem 2009;4(9):1439-45.
2009: Vasanthanathan Poongavanam; Olivier Taboureau; Chris Oostenbrink; Nico P E Vermeulen; Lars Olsen; Flemming Steen Jørgensen
Classification of cytochrome P450 1A2 inhibitors and noninhibitors by machine learning techniques.
Drug metabolism and disposition: the biological fate of chemicals 2009;37(3):658-64.
2009: Vasanthanathan Poongavanam; Jozef Hritz; Olivier Taboureau; Lars Olsen; Flemming Steen Jørgensen; Nico P E Vermeulen; Chris Oostenbrink
Virtual screening and prediction of site of metabolism for cytochrome P450 1A2 ligands.
Journal of chemical information and modeling 2009;49(1):43-52.
2008: Morten Allesø; Frans van den Berg; Claus Cornett; Flemming Steen Jørgensen; Bent Halling-Sørensen; Heidi Lopez de Diego; Lars Hovgaard; Jaakko Aaltonen; Jukka Rantanen
Solvent diversity in polymorph screening.
Journal of pharmaceutical sciences 2008;97(6):2145-59.
2008: Qiyuan Li; Flemming Steen Jørgensen; Tudor Oprea; Søren Brunak; Olivier Taboureau
hERG classification model based on a combination of support vector machine method and GRIND descriptors.
Molecular pharmaceutics 2008;5(1):117-27.
2008: Simon Birksø Larsen; Flemming Steen Jørgensen; Lars Olsen
QSAR models for the human H(+)/peptide symporter, hPEPT1: affinity prediction using alignment-independent descriptors.
Journal of chemical information and modeling 2008;48(1):233-41.
2007: Jan Hoest; Inge T Christensen; Flemming Steen Jørgensen; Lars Hovgaard; Sven Frokjaer
Computational prediction of solubilizers' effect on partitioning.
International journal of pharmaceutics 2007;329(1-2):46-52.
2006: Niclas Tue Hansen; Irene Kouskoumvekaki; Flemming Steen Jørgensen; Søren Brunak; Svava Osk Jónsdóttir
Prediction of pH-dependent aqueous solubility of druglike molecules.
Journal of chemical information and modeling 2006;46(6):2601-9.
2006: Rikke Andersen; Carsten Uhd Nielsen; Mikael Begtrup; Flemming Steen Jørgensen; Birger Brodin; Sven Frokjaer; Bente Steffansen
In vitro evaluation of N-methyl amide tripeptidomimetics as substrates for the human intestinal di-/tri-peptide transporter hPEPT1.
European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences 2006;28(4):325-35.
2006: Lars Olsen; Sandra Jost; Hans-Werner Adolph; Ingrid Pettersson; Lars Hemmingsen; Flemming Steen Jørgensen
New leads of metallo-beta-lactamase inhibitors from structure-based pharmacophore design.
Bioorganic & medicinal chemistry 2006;14(8):2627-35.
2006: Rikke Andersen; Flemming Steen Jørgensen; Lars Olsen; Jon Våbenø; Karina Thorn; Carsten Uhd Nielsen; Bente Steffansen
Development of a QSAR model for binding of tripeptides and tripeptidomimetics to the human intestinal di-/tripeptide transporter hPEPT1.
Pharmaceutical research 2006;23(3):483-92.
2005: Svava Osk Jónsdóttir; Flemming Steen Jørgensen; Søren Brunak
Prediction methods and databases within chemoinformatics: emphasis on drugs and drug candidates.
Bioinformatics (Oxford, England) 2005;21(10):2145-60.
2005: Jon Våbenø; Carsten Uhd Nielsen; Bente Steffansen; Tore Lejon; Ingebrigt Sylte; Flemming Steen Jørgensen; Kristina Luthman
Conformational restrictions in ligand binding to the human intestinal di-/tripeptide transporter: implications for design of hPEPT1 targeted prodrugs.
Bioorganic & medicinal chemistry 2005;13(6):1977-88.
2004: Lovisa Afzelius; Florian Raubacher; Anders Karlén; Flemming Steen Jørgensen; Tommy B Andersson; Collen M Masimirembwa; Ismael Zamora
Structural analysis of CYP2C9 and CYP2C5 and an evaluation of commonly used molecular modeling techniques.
Drug metabolism and disposition: the biological fate of chemicals 2004;32(11):1218-29.
2004: Michael Alifrangis; Inge T Christensen; Flemming Steen Jørgensen; Anita M Rønn; Jimmy E Weng; Ming Chen; Ib C Bygbjerg; Worachart Sirawaraporn; Yaseelan Palarasah; Claus Koch
Homology building as a means to define antigenic epitopes on dihydrofolate reductase (DHFR) from Plasmodium falciparum.
Malaria journal 2004;3():16.
2004: Dan Staerk; Brian Skole; Flemming Steen Jørgensen; Bogdan A Budnik; Patrick Ekpe; Jerzy W Jaroszewski
Isolation of a library of aromadendranes from Landolphia dulcis and its characterization using the VolSurf approach.
Journal of natural products 2004;67(5):799-805.
2004: Lars Olsen; Ingrid Pettersson; Lars Hemmingsen; Hans-Werner Adolph; Flemming Steen Jørgensen
Docking and scoring of metallo-beta-lactamases inhibitors.
Journal of computer-aided molecular design 2004;18(4):287-302.
2004: Conrad Kunick; Kathrin Lauenroth; Karen Wieking; Xu Xie; Christiane Schultz; Rick Gussio; Daniel W Zaharevitz; Maryse Leost; Laurent Meijer; Alexander Weber; Flemming Steen Jørgensen; Thomas Lemcke
Evaluation and comparison of 3D-QSAR CoMSIA models for CDK1, CDK5, and GSK-3 inhibition by paullones.
Journal of medicinal chemistry 2004;47(1):22-36.
2002: Bent N Terp; David N Cooper; Inge T Christensen; Flemming Steen Jørgensen; Peter Bross; Niels Gregersen; Michael Krawczak
Assessing the relative importance of the biophysical properties of amino acid substitutions associated with human genetic disease.
Human mutation 2002;20(2):98-109.
2002: Gitte Elgaard Terp; Gabriele Cruciani; Inge T Christensen; Flemming Steen Jørgensen
Structural differences of matrix metalloproteinases with potential implications for inhibitor selectivity examined by the GRID/CPCA approach.
Journal of medicinal chemistry 2002;45(13):2675-84.
2001: Gitte Elgaard Terp; B N Johansen; Inge T Christensen; Flemming Steen Jørgensen
A new concept for multidimensional selection of ligand conformations (MultiSelect) and multidimensional scoring (MultiScore) of protein-ligand binding affinities.
Journal of medicinal chemistry 2001;44(14):2333-43.
2000: Gitte Elgaard Terp; Inge T Christensen; Flemming Steen Jørgensen
Structural differences of matrix metalloproteinases. Homology modeling and energy minimization of enzyme-substrate complexes.
Journal of biomolecular structure & dynamics 2000;17(6):933-46.
1999: Thomas Lemcke; Inge T Christensen; Flemming Steen Jørgensen
Towards an understanding of drug resistance in malaria: three-dimensional structure of Plasmodium falciparum dihydrofolate reductase by homology building.
Bioorganic & medicinal chemistry 1999;7(6):1003-11.
1997: Inge T Christensen; Flemming Steen Jørgensen
Molecular mechanics calculations of proteins. Comparison of different energy minimization strategies.
Journal of biomolecular structure & dynamics 1997;15(3):473-88.
1997: D da Graça Thrige; J R Buur; Flemming Steen Jørgensen
Substrate binding and catalytic mechanism in phospholipase C from Bacillus cereus: a molecular mechanics and molecular dynamics study.
Biopolymers 1997;42(3):319-36.
1997: Inge T Christensen; Flemming Steen Jørgensen
Conformational analysis of six- and twelve-membered ring compounds by molecular dynamics.
Journal of computer-aided molecular design 1997;11(4):385-94.
1995: Jette S Kastrup; M Pilgaard; Flemming Steen Jørgensen; P E Nielsen; Hanne Rasmussen
Crystallization and preliminary X-ray analysis of a PNA-DNA complex.
FEBS letters 1995;363(1-2):115-7.
1994: Povl Krogsgaard-Larsen; Bente Frølund; Flemming Steen Jørgensen; A Schousboe
GABAA receptor agonists, partial agonists, and antagonists. Design and therapeutic prospects.
Journal of medicinal chemistry 1994;37(16):2489-505.
1993: Inge T Christensen; Flemming Steen Jørgensen; L A Svensson; Thomas Högberg
Three-dimensional structures of human phospholipase A2 from pancreas and synovial fluid by model building.
Drug design and discovery 1993;10(2):101-13.
1993: J R Buur; H Hjeds; Povl Krogsgaard-Larsen; Flemming Steen Jørgensen
Conformational analysis and molecular modelling of a partial GABAA agonist and a glycine antagonist related to the GABAA agonist, THIP.
Drug design and discovery 1993;10(3):213-29.