Predicting the Impact of Missense Mutations on Protein-Protein Binding Affinity.

ABSTRACT: The crucial prerequisite for proper biological function is the protein's ability to establish highly selective interactions with macromolecular partners. A missense mutation that alters the protein binding affinity may cause significant perturbations or complete abolishment of the function, potentially leading to diseases. The availability of computational methods to evaluate the impact of mutations on protein-protein binding is critical for a wide range of biomedical applications. Here, we report an efficient computational approach for predicting the effect of single and multiple missense mutations on protein-protein binding affinity. It is based on a well-tested simulation protocol for structure minimization, modified MM-PBSA and statistical scoring energy functions with parameters optim

SUBMITTER: Li M 

PROVIDER: S-EPMC3985714 | biostudies-literature | 2014 Apr

REPOSITORIES: biostudies-literature