Rapid Context-Dependent Ligand Desolvation in Molecular Docking.
Michael M. MysingerBrian K. ShoichetPublished in: J. Chem. Inf. Model. (2010)
Keyphrases
- context dependent
- virtual screening
- drug design
- drug discovery
- protein protein
- semantic level
- hiv protease
- low level
- similarity searching
- context free
- high level
- natural language
- high throughput
- user centric
- interaction networks
- three dimensional
- binding sites
- scoring function
- coarse grained
- protein protein interactions
- computational methods
- dna computing
- molecular dynamics
- markov chain