Docking Challenge: Protein Sampling and Molecular Docking Performance.
Khaled M. ElokelyRobert J. DoerksenPublished in: J. Chem. Inf. Model. (2013)
Keyphrases
- hiv protease
- protein structure prediction
- coarse grained
- molecular structures
- sequence analysis
- virtual screening
- molecular dynamics
- drug discovery
- protein protein interactions
- drug design
- random sampling
- amino acids
- mass spectrometry
- monte carlo
- three dimensional
- molecular dynamics simulations
- dead end
- sampling algorithm
- augmented reality