Prediction of Peptide Conformation by the Multicanonical Algorithm

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dc.creatorHansmann, Ulrich H. E.
dc.creatorOkamoto, Yuko
dc.date1993-03-13
dc.date.accessioned2026-07-07T03:06:48Z
dc.date.available2026-07-07T03:06:48Z
dc.descriptionWe test the effectiveness of the multicanonical algorithm for the tertiary structure prediction of peptides and proteins. As a simple example we study Met-enkephalin. The lowest-energy conformation obtained agrees with that determined by other methods such as Monte Carlo simulated annealing. But unlike to simulated annealing the relationship to the canonical ensemble remains exactly controlled. Thermodynamic quantities at various temperature can be calculated from one run.
dc.description5 pages, Latex file with attached postscript files, FSU-SCRI-93C-34
dc.identifierhttps://arxiv.org/abs/cond-mat/9303024
dc.identifierhttp://arxiv.org/abs/cond-mat/9303024
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/26948
dc.subjectCondensed Matter
dc.subjectQuantitative Biology
dc.titlePrediction of Peptide Conformation by the Multicanonical Algorithm
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