Lipase-lipid interactions

Project Details


Molecular dynamics simulations (MD) have become a powerful tool for studying the structure and dynamics of biologically
important molecules such as lipases. A vast amount of theoretical and experimental work have appeared in the literature indicating that these enzymes act on a lipid interface (e.g., micelles,
monolayers or bilayers). In the present project, simulations are applied to study the effect of a lipid interface on the protein dynamics and hence on the activation of the enzyme. In particular,
the effect of the lipid charge distribution on the adsorption of the
enzyme and activation will be addressed.
Effective start/end date31/01/1999 → …