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VN-EGNN: E(3)-Equivariant Graph Neural Networks with Virtual Nodes Enhance Protein Binding Site Identification.
Florian Sestak
Lisa Schneckenreiter
Johannes Brandstetter
Sepp Hochreiter
Andreas Mayr
Günter Klambauer
Published in:
CoRR (2024)
Keyphrases
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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