Improving peptide-protein docking with AlphaFold-Multimer using forced sampling.

ABSTRACT: Protein interactions are key in vital biological processes. In many cases, particularly in regulation, this interaction is between a protein and a shorter peptide fragment. Such peptides are often part of larger disordered regions in other proteins. The flexible nature of peptides enables the rapid yet specific regulation of important functions in cells, such as their life cycle. Consequently, knowledge of the molecular details of peptide-protein interactions is crucial for understanding and altering their function, and many specialized computational methods have been developed to study them. The recent release of AlphaFold and AlphaFold-Multimer has led to a leap in accuracy for the computational modeling of proteins. In this study, the ability of AlphaFold to predict which peptides and p

SUBMITTER: Johansson-Akhe I 

PROVIDER: S-EPMC9580857 | biostudies-literature | 2022

REPOSITORIES: biostudies-literature