Cytochrome c: the effect of temperature and pressure from molecular dynamics simulations
作者： M Prabhakaran , Sachin H Gursahani , Chandra S Verma , R Garduno-Juarez , V Renugopalakrishnan
DOI: 10.1016/J.JPCS.2003.10.079
关键词: Hydrogen bond 、 Electron transfer 、 Molecule 、 Crystallography 、 Chemical physics 、 Covalent bond 、 Solvent effects 、 Electron transport chain 、 Cytochrome c 、 Molecular dynamics 、 Chemistry 、 General Materials Science 、 General chemistry 、 Condensed matter physics
摘要: Cytochrome c has been extensively investigated due to its role in the process of electron transfer mitochondrial system. The effect temperature and pressure on horse cytochrome was using normal mode analysis Molecular Dynamics simulations. conformational space molecule anharmonic component oscillations were obtained further by molecular dynamics simulations for 1.5 ns solvent environment. simulated root means square fluctuations, radii gyration, hydrogen bond arrangements atomic packing densities reveal that protein remains compact duration simulation; high induced partial unfolding at surface regions observed. covalent bonding arrangement Fe (heme) during simulation. These results provide insight into stability transport under various pressures temperatures could be mutated enhance properties protein.
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