Predict how two or more proteins can interact from its individual unbound components can reveal new insights in the basic principles of molecular recognition. Moreover, the better understanding of protein-protein interactions can be useful for structure-based drug design and other applications.
Our research interests include the development of tools to address this otherwise high demanding computational problem. Our first approximation, FRODOCK, is focused on an initial stage exhaustive docking. This stage generates many potential predictions which will be then refined in a second scoring step. Please check the FRODOCK web site for details