Test MM-PB/SA on True Conformational Ensembles of Protein-Ligand Complexes.
Yan LiZhihai LiuRenxiao WangPublished in: J. Chem. Inf. Model. (2010)
Keyphrases
- protein folding
- drug design
- low energy
- decision trees
- protein complexes
- simulated annealing
- protein structure
- virtual screening
- drug discovery
- protein sequences
- ensemble learning
- ensemble methods
- average error
- statistical significance
- statistically significant
- augmented reality
- molecular dynamics
- logistic regression