Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity.
Shuangli LiJingbo ZhouTong XuLiang HuangFan WangHaoyi XiongWeili HuangDejing DouHui XiongPublished in: CoRR (2021)
Keyphrases
- contact map
- neural network
- drug design
- graph structure
- contact maps
- graph representation
- protein function prediction
- protein structure prediction
- prediction accuracy
- protein interaction
- protein structure
- amino acids
- molecular structures
- graph theory
- subcellular localization
- predicting protein
- pattern recognition
- physicochemical properties
- protein protein interaction networks
- pairwise
- protein tertiary structure
- tertiary structure
- neural networks and support vector machines
- drug discovery
- prediction model
- gene expression
- random walk
- artificial neural networks
- social networks