Grand Canonical Monte Carlo Simulation of Ligand-Protein Binding.
Matthew ClarkFrank GuarnieriIgor ShkurkoJeffrey S. WisemanPublished in: J. Chem. Inf. Model. (2006)
Keyphrases
- monte carlo simulation
- drug design
- virtual screening
- dna binding
- protein protein
- binding sites
- drug discovery
- monte carlo
- markov chain
- protein protein interactions
- high throughput
- protein structure prediction
- computational methods
- transcription factor binding sites
- amino acids
- protein sequences
- protein structure
- predicting protein
- transcription factors
- similarity searching
- genome wide
- mass spectrometry
- hiv protease
- protein function
- additive model
- interaction networks
- subcellular localization
- mhc class ii
- protein complexes
- scoring function
- sequence data
- cis regulatory
- dna sequences
- fine grained