Edge-Gated Graph Neural Network for Predicting Protein-Ligand Binding Affinities.
Qihong JiaoZongzhao QiuYuxiao WangCheng ChenZhenghe YangXuefeng CuiPublished in: BIBM (2021)
Keyphrases
- predicting protein
- neural network
- protein protein
- weighted graph
- secondary structure
- protein interaction
- edge weights
- undirected graph
- pairwise
- protein interaction networks
- graph structure
- graph theory
- protein protein interactions
- spanning tree
- minimum spanning tree
- graph theoretic
- graph mining
- bipartite graph
- connected components
- similarity measure
- molecular biology
- directed graph
- gene expression
- self organizing maps
- random walk
- protein function
- drug design
- computational methods
- sequence data
- high throughput
- functional modules
- knowledge discovery