Automatic selection of near-native protein-ligand conformations using a hierarchical clustering and volunteer computing.
Trilce EstradaRoger S. ArmenMichela TauferPublished in: BCB (2010)
Keyphrases
- hierarchical clustering
- automatic selection
- protein structure
- protein folding
- protein structure prediction
- amino acids
- drug design
- clustering method
- protein protein
- protein sequences
- virtual screening
- low energy
- clustering algorithm
- drug discovery
- secondary structure
- k means
- model based clustering
- single linkage
- text clustering
- experimentally determined
- protein function
- scoring function
- incremental clustering
- single link
- predicting protein
- computational biology
- computational methods
- similarity searching
- cluster ensemble
- agglomerative clustering
- correlation clustering
- hierarchical clustering algorithms
- high throughput