Entropy Transfer and Dynamics of Allostery in Proteins

2017/08/16 by Aysima Hacisuleyman, Hacisuleyman, Aysima, Burak Erman +1
Biochemistry, Genetics and Molecular Biology · Chemistry · Computer Science · #Biomolecules (q-bio.BM) #Computational Drug Discovery Methods #FOS: Biological sciences #Protein Structure and Dynamics #thermodynamics and calorimetric analyses

paper · pdf · doi:10.48550/arxiv.1708.04855

openalex publication_date 2017/08/16 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

Allostery is an intrinsic spatiotemporal property of all proteins, resulting from long range correlations in the order of several nanometers and time scales of nanoseconds. Information is carried asymmetrically from one part to another by entropy transfer. Here, we present a master equation model of allosteric communication in proteins based on the transfer entropy concept of Schreiber (PRL, 85, 465, 2000). We show how the model relates the path and velocity of asymmetric entropy transfer to conformational transitions over the rugged energy surface of proteins and how this relates to function.

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