Site en français

Computer-assisted molecular modeling and simulations of the structure, thermodynamics and dynamics of biological macromolecules. Study of the association between biological macromolecules

Units : Structure and Function of Biological Membranes | ULB167

Description :

- Some membrane proteins (ABC transporters) develop resistance to drugs by rejecting pharmacological agents (anticancer agents,
antibiotics, ...) to the extracellular medium. A high resolution experimental 3D structure is a prerequisite to get a better insight
into their structure-dynamics-function relationship. However obtaining an experimental structure is still remote due to the
inherent difficulties in determining the structure of membrane proteins. We resort to computer modeling techniques to build a 3D
structure of these proteins. This structure will be a starting point for the understanding of protein-substrate interactions and
subsequently for the rational design of potential inhibitors

List of persons in charge :

  • PREVOST Martine