scholarly journals Efficient Determination of Free Energy Landscapes in Multiple Dimensions from Biased Umbrella Sampling Simulations Using Linear Regression

2015 ◽  
Vol 11 (8) ◽  
pp. 3523-3529 ◽  
Author(s):  
Yilin Meng ◽  
Benoît Roux
Keyword(s):  
Free Energy ◽  
Linear Regression ◽  
Umbrella Sampling ◽  
Energy Landscapes ◽  
Multiple Dimensions ◽  
Free Energy Landscapes

scholarly journals Toward an Accurate Determination of Free Energy Landscapes in Solution States of Proteins

2009 ◽  
Vol 131 (11) ◽  
pp. 3810-3811 ◽  
Author(s):  
Alfonso De Simone ◽  
Barbara Richter ◽  
Xavier Salvatella ◽  
Michele Vendruscolo
Keyword(s):  
Free Energy ◽  
Accurate Determination ◽  
Energy Landscapes ◽  
Free Energy Landscapes

scholarly journals Free Energy Landscapes of Vesicle Fusion by Umbrella Sampling MD Simulations

2013 ◽  
Vol 104 (2) ◽  
pp. 92a ◽  
Author(s):  
Gregory Bubnis ◽  
H.J. Risselada ◽  
Helmut Grubmueller
Keyword(s):  
Free Energy ◽  
Md Simulations ◽  
Vesicle Fusion ◽  
Umbrella Sampling ◽  
Energy Landscapes ◽  
Free Energy Landscapes

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
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