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

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 pro...

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Autores principales:	Giorgio Tamò, Andrea Maesani, Sylvain Träger, Matteo T. Degiacomi, Dario Floreano, Matteo Dal Peraro
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/e29bb2fc464449f9869ec21e95a8eb67
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spelling	oai:doaj.org-article:e29bb2fc464449f9869ec21e95a8eb672021-12-02T15:04:54ZDisentangling constraints using viability evolution principles in integrative modeling of macromolecular assemblies10.1038/s41598-017-00266-w2045-2322https://doaj.org/article/e29bb2fc464449f9869ec21e95a8eb672017-03-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-00266-whttps://doaj.org/toc/2045-2322Abstract 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.Giorgio TamòAndrea MaesaniSylvain TrägerMatteo T. DegiacomiDario FloreanoMatteo Dal PeraroNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-9 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Giorgio Tamò Andrea Maesani Sylvain Träger Matteo T. Degiacomi Dario Floreano Matteo Dal Peraro Disentangling constraints using viability evolution principles in integrative modeling of macromolecular assemblies
description	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.
format	article
author	Giorgio Tamò Andrea Maesani Sylvain Träger Matteo T. Degiacomi Dario Floreano Matteo Dal Peraro
author_facet	Giorgio Tamò Andrea Maesani Sylvain Träger Matteo T. Degiacomi Dario Floreano Matteo Dal Peraro
author_sort	Giorgio Tamò
title	Disentangling constraints using viability evolution principles in integrative modeling of macromolecular assemblies
title_short	Disentangling constraints using viability evolution principles in integrative modeling of macromolecular assemblies
title_full	Disentangling constraints using viability evolution principles in integrative modeling of macromolecular assemblies
title_fullStr	Disentangling constraints using viability evolution principles in integrative modeling of macromolecular assemblies
title_full_unstemmed	Disentangling constraints using viability evolution principles in integrative modeling of macromolecular assemblies
title_sort	disentangling constraints using viability evolution principles in integrative modeling of macromolecular assemblies
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/e29bb2fc464449f9869ec21e95a8eb67
work_keys_str_mv	AT giorgiotamo disentanglingconstraintsusingviabilityevolutionprinciplesinintegrativemodelingofmacromolecularassemblies AT andreamaesani disentanglingconstraintsusingviabilityevolutionprinciplesinintegrativemodelingofmacromolecularassemblies AT sylvaintrager disentanglingconstraintsusingviabilityevolutionprinciplesinintegrativemodelingofmacromolecularassemblies AT matteotdegiacomi disentanglingconstraintsusingviabilityevolutionprinciplesinintegrativemodelingofmacromolecularassemblies AT dariofloreano disentanglingconstraintsusingviabilityevolutionprinciplesinintegrativemodelingofmacromolecularassemblies AT matteodalperaro disentanglingconstraintsusingviabilityevolutionprinciplesinintegrativemodelingofmacromolecularassemblies
_version_	1718389049733939200

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

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