VN-EGNN: E(3)-Equivariant Graph Neural Networks with Virtual Nodes Enhance Protein Binding Site Identification.
Florian SestakLisa SchneckenreiterJohannes BrandstetterSepp HochreiterAndreas MayrGünter KlambauerPublished in: CoRR (2024)
Keyphrases
- binding sites
- protein interaction
- neural network
- virtual screening
- graph structure
- directed graph
- protein protein
- dna binding
- regulatory elements
- mass spectrometry
- weighted graph
- protein protein interactions
- sequence alignment
- transcription factor binding sites
- sequence data
- drug discovery
- protein interaction networks
- computational methods
- edge weights
- high throughput
- gene expression
- spanning tree
- protein sequences
- protein families
- similarity searching
- protein function
- transcription factors
- statistical significance
- dna sequences
- graph theory
- regulatory networks
- functional modules
- network structure
- predicting protein
- protein protein interaction networks
- shortest path
- cis regulatory
- interaction networks
- drug design
- gene ontology
- biological data
- protein structure
- biological processes
- motif discovery