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Using Meta-Genetic Algorithms to tune parameters of Genetic Algorithms to find lowest energy Molecular Conformers

Brain, Zoe; Addicoat, Matthew


Determining the electronic structure of long chain molecules is essential to the understanding of many biological processes, notably those involving molecular receptors in cells. Finding minimum energy conformers and thus electronic structure of long-chain molecules by exhaustive search quickly becomes infeasible as the chain length increases. Typically, resources required are proportional to the number of possible conformers (shapes), which scales as O(3∧L) where L is the length. An optimized...[Show more]

CollectionsANU Research Publications
Date published: 2010
Type: Conference paper
Source: Artificial Life XII Proceedings of the Twelfth International Conference on the Synthesis and Simulation of Living Systems


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