scholarly journals Free Energy Calculation for Base Pair Dissociation in a DNA Duplex

2016 ◽  
Vol 32 (5) ◽  
pp. 1282-1288
Author(s):  
Shao-Gui WU ◽  
◽  
Dan FENG ◽  
Keyword(s):  
Free Energy ◽  
Base Pair ◽  
Free Energy Calculation ◽  
Energy Calculation ◽  
Dna Duplex

scholarly journals Free energy calculation of modified base-pair formation in explicit solvent: A predictive model

RNA ◽  
2009 ◽  
Vol 15 (12) ◽  
pp. 2278-2287 ◽  
Author(s):  
F. A.P. Vendeix ◽  
A. M. Munoz ◽  
P. F. Agris
Keyword(s):  
Free Energy ◽  
Predictive Model ◽  
Base Pair ◽  
Pair Formation ◽  
Free Energy Calculation ◽  
Energy Calculation ◽  
Explicit Solvent

Free Energy Calculation Methods of Biomolecules

2011 ◽  
Vol 27 (5) ◽  
pp. 395-402 ◽  
Author(s):  
Changjun CHEN ◽  
Yanzhao HUANG ◽  
Yi XIAO
Keyword(s):  
Free Energy ◽  
Free Energy Calculation ◽  
Energy Calculation ◽  
Calculation Methods

scholarly journals Predicting gas selectivity in organic ionic plastic crystals by free energy calculations

RSC Advances ◽  
2021 ◽  
Vol 11 (32) ◽  
pp. 19623-19629
Author(s):  
Vinay S. Kandagal ◽  
Jennifer M. Pringle ◽  
Maria Forsyth ◽  
Fangfang Chen
Keyword(s):  
Free Energy ◽  
Gas Separation ◽  
Free Energy Calculations ◽  
Free Energy Calculation ◽  
Energy Calculation ◽  
Plastic Crystal ◽  
Plastic Crystals ◽  
New Type ◽  
Gas Molecules ◽  
Gas Selectivity

The free energy calculation shows the different free energy changes of the adsorption and absorption of gas molecules into an organic ionic plastic crystal, successfully predicting the gas selectivity of this new type of gas separation material.

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