scholarly journals Calculation of the Intrinsic Solvation Free Energy Profile of an Ionic Penetrant Across a Liquid–Liquid Interface with Computer Simulations

2013 ◽  
Vol 117 (50) ◽  
pp. 16148-16156 ◽  
Author(s):  
Mária Darvas ◽  
Miguel Jorge ◽  
M. Natalia D. S. Cordeiro ◽  
Sofia S. Kantorovich ◽  
Marcello Sega ◽  
...  
Keyword(s):  
Free Energy ◽  
Computer Simulations ◽  
Solvation Free Energy ◽  
Liquid Interface ◽  
Energy Profile ◽  
Free Energy Profile

Free energy profile analysis to identify factors activating the aggregation-induced emission of a cyanostilbene derivative

2021 ◽  
Author(s):  
Norifumi Yamamoto
Keyword(s):  
Free Energy ◽  
Profile Analysis ◽  
Energy Profile ◽  
Contributing Factors ◽  
Free Energy Profile ◽  
Aggregation Induced Emission ◽  
Energy Profiles ◽  
Free Energy Profiles

The contributing factors that cause the aggregation-induced emission (AIE) are determined by identifying characteristic differences in the free energy profiles of the AIE processes of the AIE-active E-form of CN-MBE and the inactive Z-form.

scholarly journals Nonequilibrium study of the intrinsic free-energy profile across a liquid-vapour interface

2016 ◽  
Vol 144 (4) ◽  
pp. 044703 ◽  
Author(s):  
Carlos Braga ◽  
Jordan Muscatello ◽  
Gabriel Lau ◽  
Erich A. Müller ◽  
George Jackson
Keyword(s):  
Free Energy ◽  
Energy Profile ◽  
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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