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Biased Monte Carlo optimization of protein sequences

Cootes, Adrian P.; Curmi, Paul M.G.; Torda, Andrew E.


We demonstrate the application of a biased Monte Carlo method for the optimization of protein sequences. The concept of configurational-biased Monte Carlo has been used, but applied to sequence/composition rather than coordinates. Sequences of two-dimensional lattice proteins were optimized with the new approach and results compared with conventional Monte Carlo and a self-consistent mean-field (SCMF) method. Biased Monte Carlo(MC) was far more efficient than conventional MC, especially on more...[Show more]

CollectionsANU Research Publications
Date published: 2000-08-08
Type: Journal article
Source: The Journal of Chemical Physics
DOI: 10.1063/1.482067


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