PandoraRLO: Unveiling Protein-Ligand Interactions with Reinforcement Learning for Optimized Pose Prediction.
Justin JoseUjjaini AlamDivye SinghPooja AroraPublished in: BIBM (2023)
Keyphrases
- drug design
- protein protein
- reinforcement learning
- protein interaction
- predicting protein
- protein protein interactions
- subcellular localization
- protein structure prediction
- protein secondary structure
- contact map
- drug discovery
- protein structure
- computational methods
- high throughput
- prediction accuracy
- interaction networks
- protein function prediction
- protein function
- protein secondary structure prediction
- binding sites
- contact maps
- experimentally determined
- virtual screening
- protein sequences
- pose estimation
- protein tertiary structure
- state space
- biological data
- d objects
- cellular processes
- prediction model
- reinforcement learning algorithms
- amino acid sequences
- gene expression
- optimal policy
- protein interaction data
- neural network
- protein homology
- protein classification
- protein complexes
- gene ontology
- temporal difference
- model free
- position and orientation
- amino acids
- markov decision processes
- multi agent