Computational Biology

List of projects

• Binding of agonists and antagonists to G-protein coupled receptors
  
• Virus Capsid Dissociation
• RNA Encapsulation

Project: Binding of agonists and antagonists to G-protein coupled receptors

Prof. Johan Åqvist
Department of Cell and Molecular Biology, UU
Johan.Aqvist@icm.uu.se

We are using the revolutionary new structures of this class of receptors to explain activation and inhibition mechanisms, in collaboration with the group of Dan Larhammar. Approximately half of the known drugs for humans target such receptors. Therefore, an in-depth understanding of these mechanisms is paramount for progress in drug development.

http://xray.bmc.uu.se/~aqwww/

Project: Virus Capsid Dissociation

Prof. David van der Spoel
Department of Cell and Molecular Biology, UU
David.VanderSpoel@icm.uu.se

The properties governing the stability of virus capsid are probed using massive computer simulations of molecular dynamics. The capsid of Satellite Tobacco Necrosis Virus is found to leak in a lot of water near the three-fold symmetry axis.

Project: RNA Encapsulation

Prof. David van der Spoel
Department of Cell and Molecular Biology, UU
David.VanderSpoel@icm.uu.se

”Chloride screening” is used to predict the location of RNA in virus capsids. Understanding viral structure and dynamics is crucial for novel anti-viral therapy.

http://folding.bmc.uu.se/