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Our research focuses on protein structures. We predict protein structures from their sequences computationally and design sequences that fold into a given structure. We develop methods to solve the crystallographic phase problem, i.e., to enable the determination of protein structures from experimentally X-ray diffraction data. We also develop methods for virtual screening and use those methods to discover inhibitors for protein targets. Computational approaches are used to carry out these studies. The outcome of our computational studies is then experimentally tested by our collaborators.
