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: KDD (2021)
Keyphrases
- neural network
- contact map
- drug design
- graph structure
- prediction accuracy
- graph representation
- pattern recognition
- subcellular localization
- protein structure
- protein interaction
- protein structure prediction
- protein function prediction
- molecular structures
- graph theory
- prediction model
- contact maps
- drug discovery
- neural network model
- random walk
- pairwise
- computational methods
- multi layer perceptron
- graph structures
- physicochemical properties