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

Ulrich H. E. Hansmann; Yuko Okamoto

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

Ulrich H. E. Hansmann·Yuko Okamoto

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Abstract

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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Ulrich H. E. Hansmann, Yuko Okamoto. 1997-10-18. Numerical Comparisons of Three Recently Proposed Algorithms in the Protein Folding Problem. https://arxiv.org/abs/physics/9710019

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