MFPred: Rapid and accurate prediction of protein-peptide recognition multispecificity using self-consistent mean field theory.

ABSTRACT: Multispecificity-the ability of a single receptor protein molecule to interact with multiple substrates-is a hallmark of molecular recognition at protein-protein and protein-peptide interfaces, including enzyme-substrate complexes. The ability to perform structure-based prediction of multispecificity would aid in the identification of novel enzyme substrates, protein interaction partners, and enable design of novel enzymes targeted towards alternative substrates. The relatively slow speed of current biophysical, structure-based methods limits their use for prediction and, especially, design of multispecificity. Here, we develop a rapid, flexible-backbone self-consistent mean field theory-based technique, MFPred, for multispecificity modeling at protein-peptide interfaces. We benchmark our

SUBMITTER: Rubenstein AB 

PROVIDER: S-EPMC5507473 | biostudies-literature | 2017 Jun

REPOSITORIES: biostudies-literature