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γ-TEMPy: Simultaneous Fitting of Components in 3D-EM Maps of Their Assembly Using a Genetic Algorithm.

Structure (London, England : 1993) - 1 Dec 2015

Pandurangan Arun Prasad, Vasishtan Daven, Alber Frank, Topf Maya

Abstract excerpt

We have developed a genetic algorithm for building macromolecular complexes using only a 3D-electron microscopy density map and the atomic structures of the relevant components. For efficient sampling the method uses map feature points calculated by vector quantization. The fitness function combines a mutual information score that quantifies the goodness of fit with a penalty score that helps to avoid clashes...

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PMID: 26655474
DOI: 10.1016/j.str.2015.10.013
PMCID: PMC4671957

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