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Weighted histogram analysis methods

Kumar, S. Bouzida, D. Swendsen, R. H. Kollman, P. A. Rosenberg, J. M., The weighted histogram analysis method for free energy calculations on biomolecules. I. The method, J. Comput. Chem. 1992,13, 1011-1021... [Pg.28]

Multidimensional free-energy calculations using the weighted histogram analysis method, J. Comput. Chem. 16 1339 (1995). [Pg.35]

Chodera, J.D., Swope, W.C., Pitera, J.W., Seok, C., Dill, K.A. Use of the weighted histogram analysis method for the analysis of simulated and parallel tempering simulations. J. Chem. Theory Comput. 2007, 3, 26-41. [Pg.46]

Bouzida D, Rejto PA, Verkhivker GM(1999) Monte Carlo simulations of ligand-protein binding energy landscapes with the weighted histogram analysis method, Int I Quantum Chem, 73 113—121... [Pg.337]

Li et al compare different approaches, in the study of the conversion of ethane to methanol. They employ a X weighted histogram analysis method (WFIAM) in order to improve statistics. Minh uses WHAM to develop a multi-dimensional potential of mean force. [Pg.197]

Iterative Weighted Histogram Analysis Method (WHAM)... [Pg.887]

The weighted histogram analysis method was presented by Kumar et al. [90] as an extension of the umbrella sampling method to compute multi-dimensional PMFs. A detailed description of the method can be found in the references [95,... [Pg.887]

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See also in sourсe #XX -- [ Pg.441 ]

See also in sourсe #XX -- [ Pg.7 ]

See also in sourсe #XX -- [ Pg.159 ]

See also in sourсe #XX -- [ Pg.2 , Pg.1074 ]

See also in sourсe #XX -- [ Pg.12 ]



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Analysis weight

Free energy weighted histogram analysis method

Histogram

Histogram Analysis

Histogram method

Monte Carlo data analysis with the weighted histogram method

Weighted histogram analysis

Weighted histogram analysis method WHAM)

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