Employees – University of Copenhagen

Flemming Steen Jørgensen

Flemming Steen Jørgensen

Professor


  1. 2012
  2. Published

    Prediction of pH-dependent aqueous solubility of druglike molecules. / Hansen, Niclas Tue; Kouskoumvekaki, Irene; Jørgensen, Flemming Steen; Brunak, Søren; Jónsdóttir, Svava Osk.

    In: Journal of Chemical Information and Modeling, Vol. 46, No. 6, 2012, p. 2601-2609.

    Research output: Contribution to journalJournal articleResearchpeer-review

  3. Published

    hERG classification model based on a combination of support vector machine method and GRIND descriptors. / Li, Qiyuan; Jørgensen, Flemming Steen; Oprea, Tudor; Brunak, Søren; Taboureau, Olivier.

    In: Molecular Pharmaceutics, Vol. 5, No. 1, 2012, p. 117-127.

    Research output: Contribution to journalJournal articleResearchpeer-review

  4. Published

    A robust force field based method for calculating conformational energies of charged drug-like molecules. / Pøhlsgaard, Jacob; Harpsøe, Kasper; Jørgensen, Flemming Steen; Olsen, Lars.

    In: Journal of Chemical Information and Modeling, Vol. 52, No. 2, 2012, p. 409-419.

    Research output: Contribution to journalJournal articleResearchpeer-review

  5. Published

    A steered molecular dynamics study of binding and translocation processes in the GABA transporter. / Skovstrup, Søren; David, Laurent; Taboureau, Olivier; Jørgensen, Flemming Steen.

    In: P L o S One, Vol. 7, No. 6, 2012, p. e39360.

    Research output: Contribution to journalJournal articleResearchpeer-review

  6. 2011
  7. Published

    Identification of CYP1A2 ligands by structure-based and ligand-based virtual screening. / Poongavanam, Vasanthanathan; Lastdrager, Jeroen; Oostenbrink, Chris ; Commandeur, Jan N M; Vermeulen, Nico P E; Jørgensen, Flemming Steen; Olsen, Lars.

    In: MedChemComm, Vol. 2, No. 9, 2011, p. 853-859.

    Research output: Contribution to journalJournal articleResearchpeer-review

  8. Published

    In silico predictions of hERG channel blockers in drug discovery : from ligand-based and target-based approaches to systems chemical biology. / Taboureau, Olivier; Jørgensen, Flemming Steen.

    In: Combinatorial Chemistry & High Throughput Screening, Vol. 14, No. 5, 06.2011, p. 375-387.

    Research output: Contribution to journalJournal articleResearchpeer-review

  9. Published

    G protein- and agonist-bound serotonin 5-HT2A receptor model activated by steered molecular dynamics simulations. / Ísberg, Vignir; Balle, Thomas; Sander, Tommy; Jørgensen, Flemming Steen; Gloriam, David Erik Immanuel.

    In: Journal of Chemical Information and Modeling, Vol. 51, No. 2, 28.02.2011, p. 315-325.

    Research output: Contribution to journalJournal articleResearchpeer-review

  10. 2010
  11. Published

    Mutational mapping and modeling of the binding site for (S)-citalopram in the human serotonin transporter. / Andersen, Jacob; Olsen, Lars; Hansen, Kasper Bø; Taboureau, Olivier; Jørgensen, Flemming Steen; Jørgensen, Anne Marie; Bang-Andersen, Benny; Egebjerg, Jan; Strømgaard, Kristian; Kristensen, Anders Skov.

    In: Journal of Biological Chemistry, Vol. 285, No. 3, 2010, p. 2051-2063.

    Research output: Contribution to journalJournal articleResearchpeer-review

  12. Published

    Biostructure-based drug design. / Jørgensen, Flemming Steen; Kastrup, Jette Sandholm.

    Textbook of drug design and discovery. ed. / Povl Krogsgaard-Larsen; Kristian Strømgaard; Ulf Madsen. 4. ed. Boca Raton : CRC Press, 2010. p. 29-42.

    Research output: Chapter in Book/Report/Conference proceedingBook chapterEducation

  13. Published

    Forbedret optagelse af lægemidler i organismen : computeren viser vejen. / Larsen, Simon Birksø; Jørgensen, Flemming Steen; Olsen, Lars.

    In: Dansk Kemi, Vol. 91, No. 6/7, 2010, p. 18-20.

    Research output: Contribution to journalJournal articleResearch

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ID: 1302104