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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