Equivariant Line Graph Neural Network for Protein-Ligand Binding Affinity Prediction.
Yiqiang YiXu WanKangfei ZhaoLe Ou-YangPeilin ZhaoPublished in: IEEE J. Biomed. Health Informatics (2024)
Keyphrases
- drug design
- neural network
- protein structure prediction
- protein function prediction
- prediction model
- protein interaction
- subcellular localization
- graph theory
- mhc class ii
- contact map
- protein secondary structure
- multi layer perceptron
- drug discovery
- protein protein interactions
- predicting protein
- protein sequences
- protein protein
- virtual screening
- dna binding
- artificial neural networks
- random walk
- prediction accuracy
- protein tertiary structure
- protein function
- hiv protease
- computational methods
- binding sites
- contact maps
- remote homology detection
- binding peptides
- protein secondary structure prediction
- back propagation
- protein interaction data
- knn
- directed graph
- neural network model
- dna sequences
- graph structure
- weighted graph
- transcription factor binding sites
- experimentally determined
- amino acids
- protein complexes
- protein interaction networks
- functional modules