A reinforcement learning approach for protein-ligand binding pose prediction.
Chenran WangYang ChenYuan ZhangKeqiao LiMenghan LinFeng PanWei WuJinfeng ZhangPublished in: BMC Bioinform. (2022)
Keyphrases
- drug design
- reinforcement learning
- protein structure prediction
- subcellular localization
- mhc class ii
- contact map
- drug discovery
- protein protein
- protein protein interactions
- protein secondary structure
- protein structure
- virtual screening
- prediction model
- prediction accuracy
- predicting protein
- contact maps
- pose estimation
- protein sequences
- dna binding
- protein tertiary structure
- hiv protease
- function approximation
- protein interaction
- amino acids
- markov decision processes
- protein classification
- protein function
- state space
- high throughput
- physico chemical
- binding sites
- machine learning
- protein secondary structure prediction
- computational biology
- gene prediction
- experimentally determined