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. 2008:443:25-36.
doi: 10.1007/978-1-59745-177-2_2.

Monte Carlo simulations

David J Earl  1 , Michael W Deem
Affiliations

Monte Carlo simulations

David J Earl et al. Methods Mol Biol. 2008.

Abstract

A description of Monte Carlo methods for simulation of proteins is given. Advantages and disadvantages of the Monte Carlo approach are presented. The theoretical basis for calculating equilibrium properties of biological molecules by the Monte Carlo method is presented. Some of the standard and some of the more recent ways of performing Monte Carlo on proteins are presented. A discussion of the estimation of errors in properties calculated by Monte Carlo is given.

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