Research

 

Introduction

The research of the Molecular Dynamics group focuses on the understanding and the prediction of the macroscopic (experimentally observable) properties of biomolecular systems such as proteins, nucleic acids and lipid aggregates, in terms of the interactions between atoms. Work currently concentrates on the development of novel simulation methodologies on the one hand, and on application in the realm of membrane related processes on the other.

The group participates in the EC TMR network:

"Protein (mis) folding" 

 

The group also participates in the:

"EC EMBIO network" .

 

Current Research Topics: 

• Development of new forcefields
• Development of multiscale algorithms
• Understanding protein folding
• Simulation of membrane fusion
• Simulation of membrane poration
• Simulation of protein and peptide aggregation
• Modeling of mixed membranes 
   

Former Research Topics: 

• Analysis of Protein Motions
• Combined quantum/classical dynamics
• Protein folding initiation sites /peptide conformations and protein folding
• Lipid phase transformations
• Lipid self-assembly
• Membrane proteins
• QM/MM modeling