Computational Methods

A collaboration with the Theoretical and Computational Biophysics Group and the NIH Resource for Macromolecular Modeling and Bioinformatics adds a unique dimension to the PCHPI. This group is a world leader in developing and applying molecular modeling tools to integrate structural information with bioinformatics databases and molecular dynamics simulations and in generating high performance molecular visualizations of biomolecules in realistic environments of 100,000,000 atoms or more. In particular, the group has an interest in viral protein structures, developing the only full atomistic model of the assembled influenza virus capsid.

The PCHPI has also taken advantage of the computational expertise of collaborators Dr.Chris Langmead at Carnegie Mellon University and Dr. Roya Zandi at the University of California, Riverside.

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