Predictive Models and Impact of Interfacial Contacts and Amino Acids on Protein-Protein Binding Affinity.

ABSTRACT: Protein-protein interactions (PPIs) play a central role in nearly all cellular processes. The strength of the binding in a PPI is characterized by the binding affinity (BA) and is a key factor in controlling protein-protein complex formation and defining the structure-function relationship. Despite advancements in understanding protein-protein binding, much remains unknown about the interfacial region and its association with BA. New models are needed to predict BA with improved accuracy for therapeutic design. Here, we use machine learning approaches to examine how well different types of interfacial contacts can be used to predict experimentally determined BA and to reveal the impact of the specific amino acids at the binding interface on BA. We create a series of multivariate linear reg

SUBMITTER: Yi CH 

PROVIDER: S-EPMC10809705 | biostudies-literature | 2024 Jan

REPOSITORIES: biostudies-literature