Functionally important sites from anharmonic mode coupling in proteins
Koç University, Physics Department
Özet: Relevance of mode coupling to energy/information transfer during protein function, particularly in the context of allosteric interactions is an open question. Existing evidence in favor of this hypothesis comes essentially from model systems. We here report a novel formal analysis of the near-native dynamics for proteins, which allows us to explore the impact of the interaction between possibly non-Gaussian vibrational modes on fluctutational dynamics. We show that, an information-theoretic measure based on mode coupling alone yields a ranking of residues with a statistically significant bias favoring the functionally critical locations identified by experiments on Myosin II and AncGR1,2.
This work was done in collaboration with O. Varol (Indiana U), B. Kav (Koc U), D. Yuret (Koc U), and B. Erman (Koc U).
Yer : MSGSÜ Bomonti Binası, Fizik Bölümü
Tarih : 12 Mart 2015 Perşembe, 15:00