Das, Amit; Ghosh, Mahua; Chakrabarti, J.
Time dependent correlation between dihedral angles as probe for long range communication in proteins
CHEMICAL PHYSICS LETTERS, 645:200-204, FEB 2016

We calculate the time dependent correlation functions (TDCF) between the dihedral angles of a protein calmodulin (CaM), an important protein involved in calcium ion binding in eukaryotic cells. The linker between the calcium binding domains of CaM shows structural changes due to calcium binding at far distances which enables the protein to function. We show that the TDCF between the dihedral angles in these regions are correlated temporally prior to ion binding which are lost upon ion binding. Thus the TDCFs connect the structural changes with ion binding, and can be useful to understand coupled phenomena in bio-macromolecules. (C) 2016 Elsevier B.V. All rights reserved.

DOI:10.1016/j.cplett.2015.12.060

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