EDock: blind protein-ligand docking by replica-exchange monte carlo simulation.
Wenyi ZhangEric W. BellMinghao YinYang ZhangPublished in: J. Cheminformatics (2020)
Keyphrases
- monte carlo simulation
- ligand docking
- monte carlo
- markov chain
- protein structure
- subcellular localization
- protein structure prediction
- protein sequences
- peer to peer
- load balancing
- protein protein interactions
- additive model
- information exchange
- mass spectrometry
- protein function
- sequence analysis
- protein interaction data
- protein folding
- multiple sequence alignment
- amino acid sequences
- contact map
- replica selection