What kind of research are we doing?
Research in this programme, headed by Professor David van der Spoel, encompasses computational biology with emphasis on structural biology and biochemistry, intracellular kinetics and bioinformatics.
One group lead by Professor Johan Åqvist studies computational analysis, simulation and prediction of macromolecular function, and interactions based on structural information, including methodology development. Activities include studies on biological catalysis, exemplified by protein synthesis on the ribosome and key enzymes, structurebased drug design and molecular recognition, trans-membrane ion channels and G-protein-coupled receptors.They are considered a world-leading computational group in several of these areas and have a broad range of national and international collaborations. For example, a team led by Professor David van der Spoel developed GROMACS, a molecular dynamics simulation programme used by thousands of research groups. Professor Jan Komorowski works with computational modelling of biological molecules and their roles in combinatorial control of cellular processes. Associate Professor Samuel Flores focuses on modelling the structure and dynamics of large complexes. Professor Bengt Persson utilises structural calculations to predict effects of mutations, develops systems for autmated functional protein classification, and studies gene expression in heart failiure.
In addition, several researchers have collaborated with Symbicom, AstraZeneca, Biovitrum, Epix Pharmaceuticals and Medivir on applied research projects.