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The Molecular Modeling Group

Department of Biosciences and Nutrition 


Theoretical Studies of Biomolecular Interactions

Research within the group is focussed on two main lines, with atomic interactions in relation to biological processes as a common theme:

    nucleic acids and their interactions with proteins
    peptides and their structure and dynamics

Theoretical and simulation methods give a very detailed description of biomolecular systems which can serve, not only to fill in the gaps between the experiments, but also to provide predictions and suggestions for further studies. By combining molecular dynamics simulations on a series of related systems with experimental studies of basic physical/chemical properties and structural studies new insights in the underlying mechanisms and processes can be obtained. Since most biomolecular reactions take place in an aqueous environment it is also very important to consider the effects of the surroundings, which may be of several kinds: competition for hydrogen bonds, screening of electrostatic interactions or favoring structural arrangements with minimal exposure of hydrophobic groups, to name but a few possibilities


Karolinska Institutet, Department of Biosciences and Nutrition, SE-141 57 Huddinge, Sweden.
Updated 2006-01-10, Email the webmaster