End-to-end protein-ligand complex structure generation with diffusion-based generative models.
Shuya NakataYoshiharu MoriShigenori TanakaPublished in: BMC Bioinform. (2023)
Keyphrases
- end to end
- generative model
- complex structures
- drug design
- protein protein interactions
- probabilistic model
- drug discovery
- virtual screening
- em algorithm
- discriminative learning
- prior knowledge
- high throughput
- hierarchical hidden markov models
- structured data
- semi supervised
- congestion control
- discriminative models
- ad hoc networks
- expectation maximization
- xml documents
- conditional random fields
- protein sequences
- generative and discriminative models
- discriminative methods
- data mining
- high precision
- information retrieval
- learning algorithm
- information extraction
- computational methods
- object categories