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Development of a novel genetic algorithm search method (GAP1.0) for exploring peptide conformational space

✍ Scribed by Jin, A. Y.; Leung, F. Y.; Weaver, D. F.

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

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✦ Synopsis

A genetic algorithm-driven search method GAP1.0; Genetic . Algorithm Peptide search, version 1.0 has been developed for the computational exploration of peptide conformational space. The suitability of a variety of genetic algorithm operators was evaluated through representative calculations w x Ž . on the pentapeptide Met -enkephalin Tyr᎐Gly᎐Gly᎐Phe᎐Met . GAP1.0 was successful in efficiently elucidating backbone conformational features observed in the global minimum energy structure. Furthermore, the program readily w x identified the tremendous diversity among Met -enkephalin conformers under physiological conditions. It is concluded that GAP1.0 provides a useful extension to the current repertoire of conformational analysis techniques.

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