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Prediction of peptide conformation: The adaptive simulated annealing approach

โœ Scribed by Wang, Zhiqiang; Pachter, Ruth

Publisher
John Wiley and Sons
Year
1997
Tongue
English
Weight
145 KB
Volume
18
Category
Article
ISSN
0192-8651

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โœฆ Synopsis

ลฝ

. We report the application of the adaptive simulated annealing ASA method as a global optimization approach to biomolecular structure determination, using ลฝ . the ECEPPr2 empirical conformation energy program for peptides potential energy form. As applied to Met-enkephalin, our optimization results in a conformation that is in agreement with other studies. In addition, a dominant ลฝ . right-handed โฃ-helical conformation is predicted for a 14-residue poly L-alanine model peptide in a limited search range. These results show that ASA is an efficient and robust algorithm for conformational analysis.

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