Clustering versus Scoring for the Identification of Near-Native Poses in Protein-Ligand Docking.
Taner KayaDima KozakovSandor VajdaPublished in: BIOCOMP (2008)
Keyphrases
- ligand docking
- clustering algorithm
- mass spectrometry
- k means
- clustering method
- data clustering
- categorical data
- self organizing maps
- hierarchical clustering
- fuzzy clustering
- unsupervised learning
- graph theoretic
- high dimensional
- tandem mass spectrometry
- high dimensional data
- cluster analysis
- neural network
- spectral clustering
- sequence analysis
- protein interaction data
- data mining