Computational Analysis of Macromolecular Structures

Fundamentally, the genome encodes the structures of molecules, the machines that carry out the work of the cell. Analyzing structures involves dealing with complex 3D shapes and simulating them based on physical principles. One of the grand challenges to computational biology is ab initio prediction of protein structures as well as elucidation of structure-to-function relationships. Yale has unique strength in both theoretical and empirical structural biology including rna and protein structure determination, protein packing, protein classification, and macromolecular motions.

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