A gated graph transformer for protein complex structure quality assessment and its performance in CASP15.

ABSTRACT:

Motivation

Proteins interact to form complexes to carry out essential biological functions. Computational methods such as AlphaFold-multimer have been developed to predict the quaternary structures of protein complexes. An important yet largely unsolved challenge in protein complex structure prediction is to accurately estimate the quality of predicted protein complex structures without any knowledge of the corresponding native structures. Such estimations can then be used to select high-quality predicted complex structures to facilitate biomedical research such as protein function analysis and drug discovery.

Results

In this work, we introduce a new gated neighborhood-modulating graph transformer to predict the quality of 3D protein complex structures. It incorporates node

SUBMITTER: Chen X 

PROVIDER: S-EPMC10311325 | biostudies-literature | 2023 Jun

REPOSITORIES: biostudies-literature