Investigation of changes in structure and thermodynamic of spruce budworm antifreeze protein under subfreezing temperature.

ABSTRACT: The aim of this theoretical work is to investigate of the changes in structure and thermodynamics of spruce budworm antifreeze protein (sbAFP) at low temperatures by using molecular dynamics simulation. The aqueous solution will form ice crystal network under the vaguely hexagonal shape at low temperature and fully represented the characteristics of hydrophobic interaction. Like ice crystal network, the cyclohexane region (including cyclohexane molecules) have enough of the characteristics of hydrophobic interaction. Therefore, in this research the cyclohexane region will be used as a representation of ice crystal network to investigate the interactions of sbAFP and ice crystal network at low temperature. The activity of sbAFP in subfreezing environment, therefore, can be clearly observed

SUBMITTER: Nguyen H 

PROVIDER: S-EPMC5247755 | biostudies-literature | 2017 Jan

REPOSITORIES: biostudies-literature