scholarly journals BayesWHAM: A Bayesian approach for free energy estimation, reweighting, and uncertainty quantification in the weighted histogram analysis method

2017 ◽  
Vol 38 (18) ◽  
pp. 1583-1605 ◽  
Author(s):  
Andrew L. Ferguson
Keyword(s):  
Free Energy ◽  
Uncertainty Quantification ◽  
Bayesian Approach ◽  
Histogram Analysis ◽  
Analysis Method ◽  
Energy Estimation ◽  
Weighted Histogram ◽  
Weighted Histogram Analysis

THE weighted histogram analysis method for free-energy calculations on biomolecules. I. The method

1992 ◽  
Vol 13 (8) ◽  
pp. 1011-1021 ◽  
Author(s):  
Shankar Kumar ◽  
John M. Rosenberg ◽  
Djamal Bouzida ◽  
Robert H. Swendsen ◽  
Peter A. Kollman
Keyword(s):  
Free Energy ◽  
Free Energy Calculations ◽  
Histogram Analysis ◽  
Analysis Method ◽  
Energy Calculations ◽  
Weighted Histogram ◽  
Weighted Histogram Analysis

Free energy level correction by Monte Carlo resampling with weighted histogram analysis method

2020 ◽  
Vol 33 (2) ◽  
pp. 183-195
Author(s):  
Seyoung Chung ◽  
Sun Mi Choi ◽  
Wook Lee ◽  
Kwang Hyun Cho ◽  
Young Min Rhee
Keyword(s):  
Monte Carlo ◽  
Free Energy ◽  
Energy Level ◽  
Histogram Analysis ◽  
Analysis Method ◽  
Weighted Histogram ◽  
Weighted Histogram Analysis

Multidimensional free-energy calculations using the weighted histogram analysis method

1995 ◽  
Vol 16 (11) ◽  
pp. 1339-1350 ◽  
Author(s):  
Shankar Kumar ◽  
John M. Rosenberg ◽  
Djamal Bouzida ◽  
Robert H. Swendsen ◽  
Peter A. Kollman
Keyword(s):  
Free Energy ◽  
Free Energy Calculations ◽  
Histogram Analysis ◽  
Analysis Method ◽  
Energy Calculations ◽  
Weighted Histogram ◽  
Weighted Histogram Analysis
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