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Molecular recognition, binding and catalysis are fundamental processes in cell function. The ability to understand how macromolecules interact with their binding partners and participate in complex cellular networks is crucial to prediction of macromolecular function, and to applications such as protein engineering and structure-based drug design.
The Molecular and Cellular Modeling (MCM) group, which started its activities in 2000, works on the development and application of computer-aided methods to predict and simulate biomolecular interactions. The focus is on proteins and our computational approaches are mostly based on the three-dimensional structures of macromolecules. Techniques cover a wide spectrum from interactive, web-based visualization tools to molecular and Brownian dynamics simulations.
Software, databases etc developed by the MCM group are available at http://projects.villa-bosch.de/mcm.
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