Simulation of ligand dissociation kinetics from the protein kinase PYK2.
Justin SpiritiFrank NoéChung F. WongPublished in: J. Comput. Chem. (2022)
Keyphrases
- sequence alignment
- protein folding
- drug design
- molecular dynamics
- drug discovery
- virtual screening
- simulation model
- chemical reaction
- protein sequences
- biological data
- data sets
- protein structure
- protein protein interactions
- protein protein
- molecular dynamics simulations
- sequence analysis
- computational methods
- pairwise