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Updated: Jun 30, 2026

Investigating Protein Sequence-structure-dynamics Relationships with Bio3D-web
Published on: July 16, 2017
Classification of proteins based on similarity of two-dimensional protein maps
Birgit Albrecht1, Guy H Grant, Cristina Sisu
1Department of Chemistry, University of Oxford, Central Chemistry Laboratory, South Parks Road, Oxford OX13QH, UK.
Abstract:
Data reduction techniques are now a vital part of numerical analysis and principal component analysis is often used to identify important molecular features from a set of descriptors. We now take a different approach and apply data reduction techniques directly to protein structure. With this we can reduce the three-dimensional structural data into two-dimensions while preserving the correct relationships. With two-dimensional representations, structural comparisons between proteins are accelerated significantly. This means that protein-protein similarity comparisons are now feasible on a large scale. We show how the approach can help to predict the function of kinase structures according to the Hanks' classification based on their structural similarity to different kinase classes.
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