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• W2040809566 abstract "We have developed a formulation for molecular dynamics algorithm for the replica-exchange method. The effectiveness of the method for the protein-folding problem is tested with the penta-peptide Met-enkephalin. The method can overcome the multiple-minima problem by exchanging non-interacting replicas of the system at several temperatures. From only one simulation run, one can obtain probability distributions in canonical ensemble for a wide temperature range using multiple-histogram reweighting techniques, which allows the calculation of any thermodynamic quantity as a function of temperature in that range." @default.
• W2040809566 created "2016-06-24" @default.
• W2040809566 creator A5027748670 @default.
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• W2040809566 date "1999-11-01" @default.
• W2040809566 modified "2023-10-18" @default.
• W2040809566 title "Replica-exchange molecular dynamics method for protein folding" @default.
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• W2040809566 doi "https://doi.org/10.1016/s0009-2614(99)01123-9" @default.
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