Data-driven models for protein interaction and design

Xiaolei Zhu, Spencer S. Ericksen, Omar N.A. Demerdash, Julie C. Mitchell

Research output: Contribution to journalArticlepeer-review

5 Scopus citations

Abstract

We describe methods and results for four new types of challenge in the Critical Assessment of PRedicted Interactions (CAPRI). Two new challenges asked predictors to create models related to protein interface design. The first of these was to distinguish binding interfaces from designed nonbinding interfaces. The second was to predict the effects of all single-point mutations on hemagglutinin binding to two small designed proteins. Two additional challenges asked predictors to submit high-resolution structures for interface-bound crystallographic waters and for binding heparin to a putative glycosylase.

Original languageEnglish
Pages (from-to)2221-2228
Number of pages8
JournalProteins: Structure, Function and Genetics
Volume81
Issue number12
DOIs
StatePublished - Dec 2013
Externally publishedYes

Funding

FundersFunder number
National Institute of General Medical SciencesR01GM058187

    Keywords

    • Binding prediction
    • Heparin binding
    • Machine learning
    • Mutagenesis
    • Protein interaction

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