Analyzing Protein Similarity by Clustering Molecular Surface Maps.
Karsten SchatzFlorian FrießMarco SchäferThomas ErtlMichael KronePublished in: VCBM (2020)
Keyphrases
- similarity function
- three dimensional
- molecular structures
- similarity measure
- clustering method
- drug discovery
- similarity calculation
- protein structure prediction
- clustering algorithm
- molecular dynamics
- virtual screening
- distance metric
- protein structure alignment
- k means
- van der waals
- surface reconstruction
- similarity matrix
- drug design
- mass spectrometry
- dissimilarity measure
- d objects
- distance measure
- spectral clustering
- molecular dynamics simulations
- intra cluster
- euclidean distance
- protein structure
- sequence analysis
- high dimensional feature vectors
- protein function
- protein protein
- pairwise
- similar objects
- similarity metric
- amino acids
- protein sequences
- similarity searching
- interaction networks
- self organizing maps
- protein folding
- distance function
- clustering quality
- sequence alignment
- high dimensional