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Free energy weighted histogram analysis method

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]

Souaille, M., Roux, B. Extension to the weighted histogram analysis method Combining umbrella sampling g with free energy calculations. Comput. Phys. Comm. 2001,135, 40-57. [Pg.60]

When multiple alchemical intermediates are used, the weighted histogram analysis method (WHAM) [30-32], can be applied to use information from all alchemical intermediates to obtain an optimal estimate of the free energy differences between all pairs ... [Pg.44]

Chem., 13, 1011 (1992). The Weighted Histogram Analysis Method for Free-Energy... [Pg.222]

S. Kumar, J.M. Rosenberg, D. Bouzida, R.H. Swendsen, and P.A. Kollman. Multidimensional free-energy calculations using the weighted histogram analysis method. J. Comput. Chem., 16 (1995) 1339-1350. [Pg.529]

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Weighted histogram analysis

Weighted histogram analysis method

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