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

Ulrich H.E. Hansmann and Yuko Okamoto

Physica A: Statistical Mechanics and its Applications, 1994, vol. 212, issue 3, 415-437

Abstract: 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.

Date: 1994
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:212:y:1994:i:3:p:415-437

DOI: 10.1016/0378-4371(94)90342-5

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