PRODIGY: A Contact-based Predictor of Binding Affinity in Protein-protein Complexes.

ABSTRACT: Biomolecular interactions between proteins regulate and control almost every biological process in the cell. Understanding these interactions is therefore a crucial step in the investigation of biological systems and in drug design. Many efforts have been devoted to unraveling principles of protein-protein interactions. Recently, we introduced a simple but robust descriptor of binding affinity based only on structural properties of a protein-protein complex. In Vangone and Bonvin (2015), we demonstrated that the number of interfacial contacts at the interface of a protein-protein complex correlates with the experimental binding affinity. Our findings have led one of the best performing predictor so far reported (Pearson's Correlation r = 0.73; RMSE = 1.89 kcal mol^-1). Despite th

SUBMITTER: Vangone A 

PROVIDER: S-EPMC8376549 | biostudies-literature | 2017 Feb

REPOSITORIES: biostudies-literature