Computational Chemistry - Mass spectrometry-based metabolites

Abstract : The identification of mass spectrometry-based metabolites is very important for the design of new molecular imaging methods to detect tumors and develop new drugs. The goal of ​​this research is to allow the identification of the metabolites associated with the genetic modifications common in cancer cells using computational tools. On the basis of theoretical calculations, can we predict what the most stable metabolites are with their structures? The work will be facilitated by access to supercomputers within Belgium (CECI consortium). This is an exciting opportunity for a student with a strong chemistry, physics, biochemistry, bio-physics or computer science background to tackle the complexity arising in the area of biophysics.
Promoteur/Supervisor : Prof. Cauët Emilie
Email :
Site Web/Web site :
Centre de recherche/Research center : Service de Chimie Quantique et Photophysique
Faculté/Faculty : Faculty of Sciences/Faculté des Sciences
Ecole doctorale/Graduate Colleges : Science/Sciences
Ecole doctorale thématique/Graduate School (French Only):

Retour à la liste principale/Back to main list