GalaxyDock3: Protein-ligand docking that considers the full ligand conformational flexibility.
Jinsol YangMinkyung BaekChaok SeokPublished in: J. Comput. Chem. (2019)
Keyphrases
- protein folding
- ligand docking
- drug design
- virtual screening
- protein protein
- drug discovery
- low energy
- experimentally determined
- protein structure
- protein sequences
- protein protein interactions
- protein structure prediction
- amino acids
- computational methods
- molecular dynamics
- coarse grained
- high throughput
- protein function
- secondary structure
- binding sites
- subcellular localization
- hiv protease
- predicting protein
- molecular biology
- computational biology
- molecular structures
- sequence analysis
- fine grained
- genetic algorithm