scholarly journals 3P-011 Development of the free energy calculation method using a Brownian Dynamics/Umbrella Sampling(The 46th Annual Meeting of the Biophysical Society of Japan)

2008 ◽  
Vol 48 (supplement) ◽  
pp. S129
Author(s):  
Wankee Kim ◽  
Tadashi Ando ◽  
Ichiro Yamato
Keyword(s):  
Free Energy ◽  
Annual Meeting ◽  
Calculation Method ◽  
Brownian Dynamics ◽  
Umbrella Sampling ◽  
Free Energy Calculation ◽  
Energy Calculation ◽  
Biophysical Society

Rapid Free Energy Calculation of Peptide Self-Assembly by REMD Umbrella Sampling

2008 ◽  
Vol 112 (43) ◽  
pp. 13493-13498 ◽  
Author(s):  
Maarten G. Wolf ◽  
Jaap A. Jongejan ◽  
Jon D. Laman ◽  
Simon W. de Leeuw
Keyword(s):  
Free Energy ◽  
Self Assembly ◽  
Umbrella Sampling ◽  
Free Energy Calculation ◽  
Energy Calculation

Unraveling the Allosteric Inhibition Mechanism of PTP1B by Free Energy Calculation Based on Umbrella Sampling

2013 ◽  
Vol 53 (5) ◽  
pp. 1157-1167 ◽  
Author(s):  
Wei Cui ◽  
Yuan-Hua Cheng ◽  
Ling-Ling Geng ◽  
Den-Sheng Liang ◽  
Ting-Jun Hou ◽  
...  
Keyword(s):  
Free Energy ◽  
Umbrella Sampling ◽  
Free Energy Calculation ◽  
Inhibition Mechanism ◽  
Energy Calculation ◽  
Allosteric Inhibition

Combining the biased and unbiased sampling strategy into one convenient free energy calculation method

2019 ◽  
Vol 40 (20) ◽  
pp. 1806-1815 ◽  
Author(s):  
Haomiao Zhang ◽  
Qiankun Gong ◽  
Haozhe Zhang ◽  
Changjun Chen
Keyword(s):  
Free Energy ◽  
Calculation Method ◽  
Sampling Strategy ◽  
Free Energy Calculation ◽  
Energy Calculation
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