Unsupervised Protein-Ligand Binding Energy Prediction via Neural Euler's Rotation Equation.
Wengong JinSiranush SarkizovaXun ChenNir HacohenCaroline UhlerPublished in: NeurIPS (2023)
Keyphrases
- drug design
- contact map
- subcellular localization
- mhc class ii
- protein structure prediction
- prediction accuracy
- drug discovery
- differential equations
- protein secondary structure
- contact maps
- dna binding
- protein protein
- network architecture
- neural network
- protein sequences
- protein tertiary structure
- protein structure
- hiv protease
- protein interaction
- energy consumption
- protein secondary structure prediction
- unsupervised learning
- virtual screening
- low energy
- predicting protein
- prediction model
- protein protein interactions
- semi supervised
- remote homology detection
- experimentally determined
- protein function
- binding sites
- liquid state machine
- protein folding
- supervised learning
- gene prediction
- protein classification
- wireless sensor networks
- pairwise