news members research references contact

 

DO YOU MODEL PROTEINS?  Þ Link to new free-energy consistent OPLS-AA force field parameters for proteins

 

WHO WE ARE

WHAT WE DO

HOW WE DO IT

Our team consists of dedicated researchers and students who are mainly located at the Technical University of Denmark (DTU) in Lyngby.

We work together with a number of research groups with expertise complementary to ours, in order to advance our long-term research goals. Current collaborators are located at Stanford University (Edward Solomon Lab), DTU (Hans Christensen Lab), in Barcelona (Jordi Cirera Fernandez), and at Copenhagen University (Helle Hansen).

As a modern research group, we develop & apply state-of-the-art computer-based scientific methods to solve important problems relating to the use of metal ions in biological and industrial catalysis.

Our main research focus is currently in the area of metalloproteins; How can we understand nature's highly complex natural catalysts and use this knowledge to combat disease? And how can we propagate or alter structure and function in order ro design new catalysts for the benefit of mankind?

 

Computational models.  When developing new models, we focus on experimental data as the basis of validation, in particular structural and free-energy data. We are mainly concerned with force fields and density functional methods.

Application of models. Once thoroughly tested, the models are used to understand natural metallo-proteins and their 'design principles', in order to modify and device new mini-proteins with highly specific functionality for medical and industrial purposes.

OUR RESEARCH HAS BEEN MADE POSSIBLE BY THE FOLLOWING SPONSORS

 

Ó 2008 k.p. jensen