Weighted histogram analysis

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... 

Umbrella Sampling and Weighted Histogram Analysis Umbrella Sampling (US)... 

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

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. 

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... 

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. 

The energy landscape approach can elucidate such general properties of molecular recognition as the nature of the thermodynamic phases and barriers on the ligand-protein association pathway [127,128]. This method evaluates equilibrium thermodynamic properties of the system from Monte Carlo simulations of the system at a broad temperature range with the aid of the optimized data analysis and the weighted histogram analysis technique [148-153],... 

Iterative Weighted Histogram Analysis Method (WHAM)... 

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,... 

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