Enhancing AlphaFold-Multimer-based Protein Complex Structure Prediction with MULTICOM in CASP15.

ABSTRACT: AlphaFold-Multimer has emerged as the state-of-the-art tool for predicting the quaternary structure of protein complexes (assemblies or multimers) since its release in 2021. To further enhance the AlphaFold-Multimer-based complex structure prediction, we developed a new quaternary structure prediction system (MULTICOM) to improve the input fed to AlphaFold-Multimer and evaluate and refine the outputs generated by AlphaFold2-Multimer. Specifically, MULTICOM samples diverse multiple sequence alignments (MSAs) and templates for AlphaFold-Multimer to generate structural models by using both traditional sequence alignments and new Foldseek-based structure alignments, ranks structural models through multiple complementary metrics, and refines the structural models via a Foldseek st

SUBMITTER: Liu J 

PROVIDER: S-EPMC10245707 | biostudies-literature | 2023 May

REPOSITORIES: biostudies-literature