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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.

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Metadaten
Author:Ulrich H. E. Hansmann, Yuko Okamoto
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
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