Multiscale Simulation of the Ground and Photo-Induced Charge-Separated States of a Molecular Triad in Polar Organic Solvent: Exploring the Conformations, Fluctuations, and Free Energy Landscapes

2013 ◽  
Vol 117 (40) ◽  
pp. 12065-12075 ◽  
Author(s):  
D. Balamurugan ◽  
Adelia J. A. Aquino ◽  
Francis de Dios ◽  
Lionel Flores ◽  
Hans Lischka ◽  
...  
Keyword(s):  
Free Energy ◽  
Organic Solvent ◽  
Multiscale Simulation ◽  
Energy Landscapes ◽  
Polar Organic Solvent ◽  
Free Energy Landscapes ◽  
Induced Charge

scholarly journals Distributions of experimental protein structures on coarse-grained free energy landscapes

2015 ◽  
Vol 143 (24) ◽  
pp. 243153 ◽  
Author(s):  
Kannan Sankar ◽  
Jie Liu ◽  
Yuan Wang ◽  
Robert L. Jernigan
Keyword(s):  
Free Energy ◽  
Protein Structures ◽  
Coarse Grained ◽  
Energy Landscapes ◽  
Free Energy Landscapes

Rapid Perturbation of Free-Energy Landscapes: From In Vitro to In Vivo

2012 ◽  
Vol 18 (21) ◽  
pp. 6420-6427 ◽  
Author(s):  
Hannah Gelman ◽  
Max Platkov ◽  
Martin Gruebele
Keyword(s):  
Free Energy ◽  
Energy Landscapes ◽  
Free Energy Landscapes
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