Design and Prediction of Protein Self-assembly

SNIC 2022/6-210


SNIC Medium Storage

Principal Investigator:

Ingemar André


Lunds universitet

Start Date:


End Date:


Primary Classification:

10601: Structural Biology

Secondary Classification:

10615: Evolutionary Biology

Tertiary Classification:

10610: Bioinformatics and Systems Biology (methods development to be 10203)



The overall goal of this project is to predict the 3D structures of homomeric protein complexes, increase our understanding of how the amino acid sequence encodes the quaternary structure of protein complexes and to develop methods to rationally control the oligomerization state of proteins. Structure-based modeling and computational protein design forms the foundation of our research. We also develop structure-based modeling methods to simulate the evolution of protein structure. The simulations are based on the ROSETTA macromolecular modeling suite. ROSETTA is the leading program package for both structure prediction and protein design. We also experimentally study the structure of large assemblies like virus capsids with cryo electron microscopy. Structures are solved using software installed at Kebnekaise, primarily using scipion.