Generating conformer ensembles using a multiobjective genetic algorithm

The task of generating a nonredundant set of low-energy conformations for small molecules is of fundamental importance for many molecular modeling and drug-design methodologies. Several approaches to conformer generation have been published. Exhaustive searches suffer from the exponential growth of...

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Bibliographic Details

Published in:	Journal of chemical information and modeling Vol. 47; no. 6; p. 2462
Main Authors:	Vainio, Mikko J, Johnson, Mark S
Format:	Journal Article
Language:	English
Published:	United States 01.11.2007
Subjects:	Algorithms Computational Biology Crystallography, X-Ray Genome - genetics Models, Genetic Nucleic Acid Conformation
ISSN:	1549-9596
Online Access:	Get more information
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