Multicanonical Approach in Statistical Mechanics of Peptides
Please always quote using this URN: urn:nbn:de:0297-zib-1601
- We test the performance of the multicanonical approach for biological molecules. The simulated molecules are frustrated systems with a complicated energy landscape. The resulting slowing down in simulations is alleviated by our ansatz. We perform a multicanonical simulation of nonpolar amino acids and study their $\alpha$-helix propensities. The results are shown to be in agreement with recent experimental results.
Author: | Ulrich H. E. Hansmann, Yuko Okamoto |
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Document Type: | ZIB-Report |
Date of first Publication: | 1994/11/22 |
Series (Serial Number): | ZIB-Report (SC-94-32) |
ZIB-Reportnumber: | SC-94-32 |
Published in: | Appeared in: Nucl. Phys. B (Proc. Suppl.) 42 (1995) 914 |