EuDockScore: Euclidean graph neural networks for scoring protein-protein interfaces.

ABSTRACT:

Motivation

Protein-protein interactions are essential for a variety of biological phenomena including mediating biochemical reactions, cell signaling, and the immune response. Proteins seek to form interfaces which reduce overall system energy. Although determination of single polypeptide chain protein structures has been revolutionized by deep learning techniques, complex prediction has still not been perfected. Additionally, experimentally determining structures is incredibly resource and time expensive. An alternative is the technique of computational docking, which takes the solved individual structures of proteins to produce candidate interfaces (decoys). Decoys are then scored using a mathematical function that assess the quality of the system, known as scoring functions. Bey

SUBMITTER: McFee M 

PROVIDER: S-EPMC11543620 | biostudies-literature | 2024 Nov

REPOSITORIES: biostudies-literature