Physical-aware model accuracy estimation for protein complex using deep learning method.

ABSTRACT: With the breakthrough of AlphaFold2 on monomers, the research focus of structure prediction has shifted to protein complexes, driving the continued development of new methods for multimer structure prediction. Therefore, it is crucial to accurately estimate quality scores for the multimer model independent of the used prediction methods. In this work, we propose a physical-aware deep learning method, DeepUMQA-PA, to evaluate the residue-wise quality of protein complex models. Given the input protein complex model, the residue-based contact area and orientation features were first constructed using Voronoi tessellation, representing the potential physical interactions and hydrophobic properties. Then, the relationship between local residues and the overall complex topology as well as the in

SUBMITTER: Wang H 

PROVIDER: S-EPMC11799971 | biostudies-literature | 2025

REPOSITORIES: biostudies-literature