Improved Binding Affinity Prediction Using Non-Covalent Interactions and Graph Integration.
Junseok ChoeKeonwoo KimMinjae JuSumin LeeJaewoo KangPublished in: BigComp (2022)
Keyphrases
- van der waals
- prediction accuracy
- protein interaction
- structured data
- prediction model
- graph representation
- graph structure
- pairwise
- prediction algorithm
- graph theory
- artificial neural networks
- prediction error
- bipartite graph
- directed graph
- random walk
- graph mining
- graph model
- graph matching
- graph based algorithm
- major histocompatibility complex