Improving AlphaFold2-based protein tertiary structure prediction with MULTICOM in CASP15.

ABSTRACT: Since the 14th Critical Assessment of Techniques for Protein Structure Prediction (CASP14), AlphaFold2 has become the standard method for protein tertiary structure prediction. One remaining challenge is to further improve its prediction. We developed a new version of the MULTICOM system to sample diverse multiple sequence alignments (MSAs) and structural templates to improve the input for AlphaFold2 to generate structural models. The models are then ranked by both the pairwise model similarity and AlphaFold2 self-reported model quality score. The top ranked models are refined by a novel structure alignment-based refinement method powered by Foldseek. Moreover, for a monomer target that is a subunit of a protein assembly (complex), MULTICOM integrates tertiary and quaternary structure pred

SUBMITTER: Liu J 

PROVIDER: S-EPMC10484931 | biostudies-literature | 2023 Sep

REPOSITORIES: biostudies-literature