scholarly journals Conformational Sampling of Oligosaccharides Using Hamiltonian Replica Exchange with Two-Dimensional Dihedral Biasing Potentials and the Weighted Histogram Analysis Method (WHAM)

2015 ◽  
Vol 11 (2) ◽  
pp. 788-799 ◽  
Author(s):  
Mingjun Yang ◽  
Alexander D. MacKerell
Keyword(s):  
Histogram Analysis ◽  
Replica Exchange ◽  
Conformational Sampling ◽  
Two Dimensional ◽  
Analysis Method ◽  
Hamiltonian Replica Exchange ◽  
Weighted Histogram ◽  
Weighted Histogram Analysis

Temperature Weighted Histogram Analysis Method, Replica Exchange, and Transition Paths†

2005 ◽  
Vol 109 (14) ◽  
pp. 6722-6731 ◽  
Author(s):  
Emilio Gallicchio ◽  
Michael Andrec ◽  
Anthony K. Felts ◽  
Ronald M. Levy
Keyword(s):  
Histogram Analysis ◽  
Replica Exchange ◽  
Analysis Method ◽  
Transition Paths ◽  
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
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