EGGNet, a Generalizable Geometric Deep Learning Framework for Protein Complex Pose Scoring

Keyphrases

• Area Under the Precision-Recall Curve 16%
• Atomic Resolution 16%
• Binding Affinity 16%
• Binding Affinity Prediction 16%
• Binding Prediction 16%
• Binding Site Prediction 16%
• Biophysics 16%
• Blind Docking 16%
• Competitive Performance 16%
• Computational Model 16%
• Computational Prediction 16%
• Deep Learning Framework 100%
• Drug Development 16%
• Drug-target Interaction 33%
• Equivariant 100%
• Equivariant Graph Neural Networks 16%
• Geometric Deep Learning 100%
• Graph Neural Network 100%
• Graph of Graphs 100%
• Graph Representation 16%
• Interaction Tasks 16%
• Molecular Docking 16%
• Molecular Structure 16%
• Multi-resolution 16%
• Natural Proteins 16%
• Noncovalent Interactions 16%
• Pose Scoring 100%
• Prediction Problems 16%
• Prediction Task 33%
• Protein Binding 16%
• Protein Complex 100%
• Protein Drug 16%
• Protein Engineering 16%
• Protein Molecules 16%
• Protein Structure 16%
• Protein Targeting 16%
• Protein-protein Interaction 50%
• Protein-protein Interaction Prediction 33%
• Residue Level 16%
• Small Molecule Binding 16%
• Small Molecule Ligands 16%
• Small Molecules 16%
• Structure-based Drug 16%
• Success Rate 16%
• Synthetic Peptides 16%
• Synthetic Protein 16%
• Therapeutic Development 16%

Biochemistry, Genetics and Molecular Biology

• Binding Affinity 66%
• Binding Protein 33%
• Binding Site 33%
• Chemical Structure 33%
• Docking (Molecular) 33%
• Protein 33%
• Protein Complexes 100%
• Protein Engineering 33%
• Protein Interaction 66%
• Protein Structure 33%
• Protein-Protein Interaction 66%
• Small Molecule 100%
• Synapsin I 33%

Neuroscience

• Binding Affinity 33%
• Binding Site 16%
• Molecular Docking 16%
• Neural Network 100%
• Protein Binding 16%
• Protein Complexes 100%
• Protein Engineering 16%
• Protein Interaction 33%
• Protein Structure 16%
• Protein-Protein Interaction 33%
• Synapsin I 16%
• Synthetic Peptide 16%