Relation between Anharmonicity of Free-Energy Profile and Spectroscopy in Solvation Dynamics: Differences in Spectral Broadening and Peak Shift in Transient Hole-Burning Spectroscopy Studied by Equilibrium Molecular Dynamics Simulation

2019 ◽  
Vol 123 (32) ◽  
pp. 7036-7042 ◽  
Author(s):  
Tsuyoshi Yamaguchi ◽  
Norio Yoshida ◽  
Katsura Nishiyama
Keyword(s):  
Molecular Dynamics ◽  
Free Energy ◽  
Molecular Dynamics Simulation ◽  
Peak Shift ◽  
Dynamics Simulation ◽  
Hole Burning ◽  
Solvation Dynamics ◽  
Energy Profile ◽  
Spectral Broadening ◽  
Free Energy Profile

scholarly journals Free Energy Profile of APOBEC3G Protein Calculated by a Molecular Dynamics Simulation

Biology ◽  
2012 ◽  
Vol 1 (2) ◽  
pp. 245-259
Author(s):  
Yoshifumi Fukunishi ◽  
Saki Hongo ◽  
Masami Lintuluoto ◽  
Hiroshi Matsuo
Keyword(s):  
Molecular Dynamics ◽  
Free Energy ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Energy Profile ◽  
Free Energy Profile
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