|
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.
|