State-specific protein-ligand complex structure prediction with a multiscale deep generative model.
Zhuoran QiaoWeili NieArash VahdatThomas F. Miller IIIAnimashree AnandkumarPublished in: Nat. Mac. Intell. (2024)
Keyphrases
- generative model
- complex structures
- multiscale
- drug design
- probabilistic model
- bayesian framework
- semi supervised
- latent dirichlet allocation
- protein protein interactions
- protein structure prediction
- protein protein
- em algorithm
- topic models
- generative and discriminative models
- machine learning
- predicting protein
- protein interaction
- prior knowledge
- high throughput
- discriminative models
- expectation maximization
- contact map
- training data
- primal sketch
- knowledge base