Modeling of membrane proteins with bioeconomic impact

We use state-of-the-art computational methods to model the 3D structure of complex multi-domain membrane proteins and enzymes of relevance in biotechnology, agriculture and medicine. Molecular simulations methods are subsequently used to probe the structural dynamics of such systems in realistic environments at the atomistic level.

Modeling of proteins with bio-economic impact
Developed in our group, the PACKMOL memgen program is used to automate the modeling of membrane-protein / lipid-bilayer systems. Two systems of interest, the ethylene-1 receptor and the PlaF phospholipase A1 were successfully modeled using PACKMOL memgen and extensively studied using MD simulations.
S. Schott-Verdugo
Last Modified: 27.01.2023