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A Multilevel Strategy for the Exploration of the Conformational Flexibility of Small Molecules

โœ Scribed by Forti, Flavio; Cavasotto, Claudio N.; Orozco, Modesto; Barril, Xavier; Luque, F. Javier


Book ID
120432663
Publisher
American Chemical Society
Year
2012
Tongue
English
Weight
453 KB
Volume
8
Category
Article
ISSN
1549-9618

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## Abstract Originally, the ant system was developed for optimization in discrete search spaces such as the traveling salesman problem. We detail our adaptation of the algorithm to optimization in the continuous search space of conformational analysis. The parameters of the algorithm were tuned usi