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GraphQA: protein model quality assessment using graph convolutional networks
Stockholm University, Science for Life Laboratory (SciLifeLab). Stockholm University, Faculty of Science, Department of Biochemistry and Biophysics.ORCID iD: 0000-0003-3534-2986
Stockholm University, Science for Life Laboratory (SciLifeLab). Stockholm University, Faculty of Science, Department of Biochemistry and Biophysics.ORCID iD: 0000-0002-7115-9751
Number of Authors: 42021 (English)In: Bioinformatics, ISSN 1367-4803, E-ISSN 1367-4811, Vol. 37, no 3, p. 360-366Article in journal (Refereed) Published
Abstract [en]

Motivation: Proteins are ubiquitous molecules whose function in biological processes is determined by their 3D structure. Experimental identification of a protein's structure can be time-consuming, prohibitively expensive and not always possible. Alternatively, protein folding can be modeled using computational methods, which however are not guaranteed to always produce optimal results. GraphQA is a graph-based method to estimate the quality of protein models, that possesses favorable properties such as representation learning, explicit modeling of both sequential and 3D structure, geometric invariance and computational efficiency.

Results: GraphQA performs similarly to state-of-the-art methods despite using a relatively low number of input features. In addition, the graph network structure provides an improvement over the architecture used in ProQ4 operating on the same input features. Finally, the individual contributions of GraphQA components are carefully evaluated.

Place, publisher, year, edition, pages
2021. Vol. 37, no 3, p. 360-366
National Category
Biological Sciences Computer and Information Sciences
Identifiers
URN: urn:nbn:se:su:diva-196420DOI: 10.1093/bioinformatics/btaa714ISI: 000667755400010PubMedID: 32780838OAI: oai:DiVA.org:su-196420DiVA, id: diva2:1592238
Available from: 2021-09-08 Created: 2021-09-08 Last updated: 2022-02-25Bibliographically approved

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Baldassarre, FedericoMenéndez Hurtado, DavidElofsson, Arne

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