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arxiv: physics/9710019 · v1 · submitted 1997-10-18 · ⚛️ physics.chem-ph · cond-mat· physics.bio-ph· physics.comp-ph· q-bio

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

classification ⚛️ physics.chem-ph cond-matphysics.bio-phphysics.comp-phq-bio
keywords threesimulationsalgorithmsfoldingproblemproposedproteinrecently
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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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