Numerical Comparisons of Three Recently Proposed Algorithms in the Protein Folding Problem

Details Numerical Comparisons of Three Recently Proposed Algorithms in the Protein Folding Problem Numerical Comparisons of Three Recently Proposed Algorithms in the Protein Folding Problem

1997-10-18

arxiv.org/abs/physics/9710019v1

J. Comput. Chem. 18 (1997) 920 -933

Physics

Chemical Physics

Latex, no figures include, for reprints send e-mail to authors

Scientific paper

We compare numerically the effectiveness of three recently proposed algorithms, multicanonical simulations, simulations in a 1/k-ensemble, and simulated tempering for the protein folding problem. For this we perform simulations with high statistics for one of the simplest peptides, Met-enkephalin. While the performances of all three approaches is much better than traditional methods, we find that the differences among the three are only marginal.

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