Bioinformatics
Bioinformatics
5 years ago

Enhancing protein fold determination by exploring the complementary information of chemical cross-linking and coevolutionary signals.

Alfonso Valencia, Leandro Martínez, Fábio C Gozzo, Hugo C R de Jesus, Allan J R Ferrari, Faruck Morcos, Ricardo N Dos Santos
Elucidation of protein native states from amino acid sequences is a primary computational challenge. Modern computational and experimental methodologies, such as molecular coevolution and chemical cross-linking mass-spectrometry allowed protein structural characterization to previously intangible systems. Despite several independent successful examples, data from these distinct methodologies have not been systematically studied in conjunction. One challenge of structural inference using coevolution is that it is limited to sequence fragments within a conserved and unique domain for which sufficient sequence datasets are available. Therefore coupling coevolutionary data with complimentary distance constraints from orthogonal sources can provide additional precision to structure prediction methodologies.

Publisher URL: http://doi.org/10.1093/bioinformatics/bty074

DOI: 10.1093/bioinformatics/bty074

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