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Comparative Study of Multicanonical and Simulated Annealing Algorithms in the Protein Folding Problem. (1994)

Hansmann, Ulrich H. E. ; Okamoto, Yuko

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Publikationsdatum: 2014-02-26

Beschreibung: We compare a few variants of the recently proposed multicanonical method with the well known simulated annealing for the effectiveness in search of the energy global minimum of a biomolecular system. For this we study in detail Met-enkephalin, one of the simplest peptides. We show that the new method not only outperforms simulated annealing in the search of the energy groundstate but also provides more statistical-mechanical information about the system.

Schlagwort(e): ddc:000

Sprache: Englisch

Materialart: reportzib , doc-type:preprint

Format: application/postscript

Format: application/pdf

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