Enhancing alphafold-multimer-based protein complex structure prediction with MULTICOM in CASP15.

ABSTRACT: To enhance the AlphaFold-Multimer-based protein complex structure prediction, we developed a quaternary structure prediction system (MULTICOM) to improve the input fed to AlphaFold-Multimer and evaluate and refine its outputs. MULTICOM samples diverse multiple sequence alignments (MSAs) and templates for AlphaFold-Multimer to generate structural predictions by using both traditional sequence alignments and Foldseek-based structure alignments, ranks structural predictions through multiple complementary metrics, and refines the structural predictions via a Foldseek structure alignment-based refinement method. The MULTICOM system with different implementations was blindly tested in the assembly structure prediction in the 15^th Critical Assessment of Techniques for Protein Structure

SUBMITTER: Liu J 

PROVIDER: S-EPMC10638423 | biostudies-literature | 2023 Nov

REPOSITORIES: biostudies-literature