Towards Ab Initio Prediction of Protein Conformations - The Multicanonical Approach.
Please always quote using this URN: urn:nbn:de:0297-zib-1494
- We demonstrate the effectiveness of the multicanonical algorithm for the tertiary structure prediction of peptides and proteins. Unlike to simulated annealing the relationship to the canonical ensemble remains exactly controlled. Hence, the new method allows not only the prediction of the lowest-energy conformation, but also the calculation of thermodynamic quantities at various temperature from one run.
Author: | Ulrich H. E. Hansmann |
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Document Type: | ZIB-Report |
Date of first Publication: | 1994/08/16 |
Series (Serial Number): | ZIB-Report (SC-94-21) |
ZIB-Reportnumber: | SC-94-21 |
Published in: | Appeared in: Bioinformatik - Computereinsatz in den Biowissenschaften, Workshop, Jena 1994. Haubensak, F., Suehnel, J. (eds.) Jena: Institut fĂĽr Molekulare Biotechnologie 1994 |