Developmentof molecular fingerprints based on electron density critical points: application to cytochrome P450 inhibition

Project: PHD

Project Details

Description

{description_courte}
StatusFinished
Effective start/end date30/09/0430/09/08

Research Output

Fragment-Based Prediction of Cytochromes P450 2D6 and 1A2 Inhibition by Recursive Partitioning

Burton, J., Danloy, E. & Vercauteren, D. P., 1 Jan 2009, In : SAR QSAR Environ. Res.. 20, p. 185-205 21 p.

Research output: Contribution to journalArticle

  • Can Descriptors of the Electron Density Distribution Help to Distinguish Functional Groups?

    Burton, J., Meurice, N., Leherte, L. & Vercauteren, D., 1 Oct 2008, In : Journal of chemical information and modeling. 48, 10, p. 1974-1983 10 p.

    Research output: Contribution to journalArticle

  • In Silico Molecular Similarity and Complementarity Based on the Electron Density

    Becue, A., Burton, J., Dury, L., Hansenne, C., Larin, A., Latour, T., Leherte, L., Meurice, N., Petit, J. & Vercauteren, D., 2007, In : Chimie nouvelle. 94, p. 14-21 8 p.

    Research output: Contribution to journalArticle

    Student Theses

    Développement d'empreintes digitales moléculaires basées sur les points critiques de la densité électronique : application à l'inhibition des cytochromes P450

    Author: Burton, J., 19 Sep 2008

    Supervisor: Vercauteren, D. (Supervisor), Leherte, L. (Co-Supervisor), Fortier, S. (External person) (Jury), Michel, A. (External person) (Jury), Bourguignon, J. (External person) (Jury) & Wouters, J. (Jury)

    Student thesis: Doc typesDoctor of Sciences