3D-equivariant graph neural networks for protein model quality assessment.

Journal: Bioinformatics (Oxford, England)
PMID:

Abstract

MOTIVATION: Quality assessment (QA) of predicted protein tertiary structure models plays an important role in ranking and using them. With the recent development of deep learning end-to-end protein structure prediction techniques for generating highly confident tertiary structures for most proteins, it is important to explore corresponding QA strategies to evaluate and select the structural models predicted by them since these models have better quality and different properties than the models predicted by traditional tertiary structure prediction methods.

Authors

  • Chen Chen
    The George Institute for Global Health, Faculty of Medicine, University of New South Wales, Sydney, NSW, Australia.
  • Xiao Chen
  • Alex Morehead
    Department of Electrical Engineering and Computer Science, University of Missouri, Columbia, MO 65211, USA.
  • Tianqi Wu
    Department of Electrical Engineering and Computer Science, University of Missouri, Columbia, MO 65211, USA.
  • Jianlin Cheng
    Department of Electrical Engineering and Computer Science, University of Missouri, Columbia, MO, USA.