The protein flexibility in receptor-ligand docking simulations.
Frank TristramPublished in: J. Cheminformatics (2010)
Keyphrases
- ligand docking
- molecular dynamics
- drug discovery
- molecular dynamics simulations
- protein structure
- protein sequences
- numerical simulations
- amino acids
- molecular structures
- protein function
- signaling pathways
- protein interaction networks
- virtual screening
- chemical compounds
- protein protein interaction networks
- amino acid sequences
- data sets
- simulation environment
- protein protein interactions
- simulation model
- neural network