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Comparative study of multicanonical and simulated annealing algorithms in the protein folding problem

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.
Year of publication:
1994
Authors: Hansmann, Ulrich H.E. ; Okamoto, Yuko
Published in:
Physica A: Statistical Mechanics and its Applications. - Elsevier, ISSN 0378-4371. - Vol. 212.1994, 3, p. 415-437
Publisher: Elsevier
Type of publication: Article
Source:
Persistent link: https://www.econbiz.de/10010587085
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