Home > Seminars > CSE Seminar Series - Exploring Co-evolutionary Information to Uncover Amino Acid Interactions, Protein Structure, Complex Formation and Conformational Plasticity

CSE Seminar Series - Exploring Co-evolutionary Information to Uncover Amino Acid Interactions, Protein Structure, Complex Formation and Conformational Plasticity

Start:

11/30/2012 at 3:00PM

End:

11/30/2012 at 4:00PM

Location:

208 DeBartolo Hall
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Signals from amino acid co-evolution at different sequence positions in multiple sequence alignments can be exploited to infer spatial contacts within the three dimensional structures of proteins. We developed a computationally efficient implementation of Direct Coupling Analysis, termed mean field DCA (mfDCA), which has the ability to disentangle direct and indirect correlations and allows us to evaluate the accuracy of contact estimation for a large number of protein domains, based purely on sequence information. We demonstrate that information uncovered by mfDCA allows us to reconstruct the global structure of contact maps for many of the protein domains examined. Inferred contacts by mfDCA can be utilized as a reliable guide in high accuracy computational predictions of domain structure. We show that this is true for proteins of different folds and families. In addition to this, our results capture clear signals beyond intra-domain residue contacts, for instance, ligand-mediated residue couplings, inter-domain interactions in protein oligomers and conformational plasticity. These signals provide insights on the structural features of functional states of proteins across many different domain lineages.

Seminar Speaker:

Dr. Faruck Morcos

Rice University

Dr. Faruck Morcos obtained his Ph.D. in Computer Science and Engineering and M.S. in Applied Mathematics from the University of Notre Dame in 2010. He has been a postdoctoral researcher at the Center for Theoretical Biological Physics at the University of California San Diego from 2010 to 2011, and at the same institution in Rice University from 2011 to the present. Dr. Morcos’ interests span computing, machine learning, information theory and applications to biology and biochemistry.

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