dorsal/arxiv
View SchemaNumerical Comparisons of Three Recently Proposed Algorithms in the Protein Folding Problem
| Authors | Ulrich H. E. Hansmann, Yuko Okamoto |
|---|---|
| Categories | |
| ArXiv ID | physics/9710019 |
| URL | https://arxiv.org/abs/physics/9710019 |
| Journal | J. Comput. Chem. 18 (1997) 920 -933 |
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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"abstract": "We compare numerically the effectiveness of three recently proposed\nalgorithms, multicanonical simulations, simulations in a 1/k-ensemble, and\nsimulated tempering for the protein folding problem. For this we perform\nsimulations with high statistics for one of the simplest peptides,\nMet-enkephalin. While the performances of all three approaches is much better\nthan traditional methods, we find that the differences among the three are only\nmarginal.",
"arxiv_id": "physics/9710019",
"authors": [
"Ulrich H. E. Hansmann",
"Yuko Okamoto"
],
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],
"journal_ref": "J. Comput. Chem. 18 (1997) 920 -933",
"title": "Numerical Comparisons of Three Recently Proposed Algorithms in the Protein Folding Problem",
"url": "https://arxiv.org/abs/physics/9710019"
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