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Disentangling constraints using viability evolution principles in integrative modeling of macromolecular assemblies.

Tamò, G. and Maesani, A. and Träger, S. and Degiacomi, M.T. and Floreano, D. and Dal Peraro, Matteo (2017) 'Disentangling constraints using viability evolution principles in integrative modeling of macromolecular assemblies.', Scientific reports., 7 (1). p. 235.

Abstract

Predicting the structure of large molecular assemblies remains a challenging task in structural biology when using integrative modeling approaches. One of the main issues stems from the treatment of heterogeneous experimental data used to predict the architecture of native complexes. We propose a new method, applied here for the first time to a set of symmetrical complexes, based on evolutionary computation that treats every available experimental input independently, bypassing the need to balance weight components assigned to aggregated fitness functions during optimization.

Item Type:Article
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Status:Peer-reviewed
Publisher Web site:https://doi.org/10.1038/s41598-017-00266-w
Publisher statement:This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/
Date accepted:14 February 2017
Date deposited:02 August 2017
Date of first online publication:22 March 2017
Date first made open access:02 August 2017

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