Prediction of protein structure, function and druggability on a proteomic scale

A novel method for the prediction of protein structure and function based on the sequence-to-structure-to-function paradigm has been developed. We first show recent results that suggest that for compact single domain proteins, the PDB is most likely complete and that the completeness can be explained by the packing of compact, hydrogen bonded, secondary structural elements. We next summarize the results from TASSER-lite, the fast version of the structure prediction algorithm TASSER as applied to comparative modeling. Then we summarize our recent performance in CASP7. Next, we next present results from the application of our structure prediction algorithm, TASSER to all GPCRs in the human genome. Based on confidence criteria, 90% should have approximately correct structures, and clustering shows that structurally similar GPCRs have similar function even when their sequences are diverse. Finally, we describe our multimeric structure prediction algorithm, m-TASSER, and its application to the prediction of protein-protein interactions.

For more information contact Dr. Jean-Luc Brédas (404-385-4986).