Adaptive umbrella sampling

Bartels, C. Karplus, M., Multidimensional adaptive umbrella sampling applications to main chain and side chain peptide conformations, J. Comput. Chem. 1997, 18, 1450-1462... 

Mezei, M., Adaptive umbrella sampling self-consistent determination of the non-Boltzmann bias, J. Comput. Phys. 1987, 68, 237-248... 

Realizations of this formalism go under the names adaptive umbrella sampling [26] and the multicanonical ensemble introduced by Berg and Neuhaus [27]. It seems right to attribute the recent revival in interest in extended sampling to the latter work. 

J. P. VaUeau (1999) Thermodynamic-Scaling Methods in Monte Carlo and their application to phase equilibria. Adv. Chem. Phys. 105, p. 369 M. Mezei (1987) Adaptive Umbrella Sampling - Self-Consistent Determination of the Non-Boltzmann Bias. J. Comp. Phys. 68, p. 237... 

M. Mezei, /. Comput. Phys., 68, 237 (1987). Adaptive Umbrella Sampling Self-Consistent Determination of the Non-Boltzmann Bias. 

R. A. Friedman and M. Mezei, J. Ghent. Phys., 102, 419 (1995). The Potentials of Mean Force of Sodium Chloride and Sodium Dimethylphosphate in Water An Application of Adaptive Umbrella Sampling. 

C. Bartels and M. Karplus,/. Comput. Chem., 18(12), 1450—1462 (1997). Multidimensional Adaptive Umbrella Sampling Application to Main Chain and Side Chain Peptide Conformations. 

C. Bartels and M. Karplus,/. Phys. Chem. B, 102(5), 865-880 (1998). Probability Distributions for Complex Systems Adaptive Umbrella Sampling of the Potential Eneigy. 

Complex Systems Adaptive Umbrella Sampling of the Potential Energy. 

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