EquiPocket: an E(3)-Equivariant Geometric Graph Neural Network for Ligand Binding Site Prediction.
Yang ZhangWenbing HuangZhewei WeiYe YuanZhaohan DingPublished in: CoRR (2023)
Keyphrases
- binding sites
- neural network
- protein interaction
- virtual screening
- prediction model
- protein protein
- gene expression
- dna sequences
- sequence data
- drug design
- graph theory
- predicting protein
- protein protein interactions
- transcription factors
- statistical significance
- drug discovery
- machine learning
- biological processes
- protein interaction networks
- protein function
- computational methods
- graph mining
- high throughput
- artificial neural networks