ISSN:
0192-8651
Keywords:
genetic algorithm
;
peptide
;
conformer
;
enkephalin
;
search
;
Chemistry
;
Theoretical, Physical and Computational Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
,
Computer Science
Notes:
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 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 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. © 1997 John Wiley & Sons, Inc. J Comput Chem 18: 1971-1984, 1997
Additional Material:
5 Ill.
Type of Medium:
Electronic Resource
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