NDLI: Design and Implementation of Parallel Lamarckian Genetic Algorithm for Automated Docking of Molecules

Content Provider	IEEE Xplore Digital Library
Author	Li Wang Zi-jun Weng Yi Liang Yong Wang Zheng Zhang Rui-hua Di
Copyright Year	2008
Description	Author affiliation: Coll. of Comput. Sci., Beijing Univ. of Technol., Beijing (Li Wang; Zi-jun Weng; Yi Liang; Yong Wang; Zheng Zhang; Rui-hua Di)
Abstract	Molecular docking is one of the most important methods in computer assisted drug design, with the dreg activity of flexible ligands verified during docking to macromolecular targets, its use value could be determined. Because of the large quantity of ligands in data bank, it will be extraordinarily time-consuming to compute the interaction between ligands and macromolecules. The paper lays emphasis on Lamarckian Genetic Algorithm (LGA) of Autodock, furthermore, in accordance with the key links in the Autodock program, a suite of parallel approaches is not only designed but implemented. In the end, the parallel approaches prove effective in improving the performance of Autodock through thoroughly testing.
Starting Page	689
Ending Page	694
File Size	501003
Page Count	6
File Format	PDF
ISBN	9780769533520
DOI	10.1109/HPCC.2008.50
Language	English
Publisher	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Publisher Date	2008-09-25
Publisher Place	China
Access Restriction	Subscribed
Rights Holder	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Subject Keyword	Algorithm design and analysis Drugs Computers Proteins Program processors Clustering algorithms MPI Genetic Algorithm Lamarckian Genetic Algorithm Molecular docking Genetic algorithms
Content Type	Text
Resource Type	Article

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