Comparative Study of Multicanonical and Simulated Annealing Algorithms in the Protein Folding Problem.
Please always quote using this URN: urn:nbn:de:0297-zib-1483
- 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.
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| Author: | Ulrich H. E. Hansmann, Yuko Okamoto |
|---|---|
| Document Type: | ZIB-Report |
| Date of first Publication: | 1994/08/16 |
| Series (Serial Number): | ZIB-Report (SC-94-20) |
| ZIB-Reportnumber: | SC-94-20 |
| Published in: | Appeared in: Physica A-212 (1994) 415 |
