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Title

DENSITY FUNCTIONAL THEORY OF CA2+ AND TROPONIN C (TNC)

Writers

RAOUF M. | MAHDAVIAN L.

Pages

 Start Page 39 | End Page 45

Keywords

CA2+ ION 
TNC (TROPONIN C) 

Abstract

 In this research, the effects of Ca2+ on TnC (Troponin C) are investigated. TnC controls the calcium in muscle contraction and is the Ca2+-binding subunit of the troponin complex. The nanosecond mobility domain presents in solution, as determined by QM/MM of Charmm (Chemistry at Harvard Molecular Mechanics) program, is fully calculated in fibers. The orientation analysis revealed a bimodal orientation distribution of TnC in the presence and absence Ca2+. Thermodynamic properties are calculated for this orientation (TnC and Ca2+) and the Ca2+ interaction with NH2 and COOH terminals of troponin C, the impact of LACTIC ACID concentration on Ca2+ from its sites on troponin C are studied, and the effect of temperature increase on the interaction.

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