Analyzing the similarity of protein domains by clustering Molecular Surface Maps.
Karsten SchatzFlorian FrießMarco SchäferPatrick C. F. BuchholzJürgen PleissThomas ErtlMichael KronePublished in: Comput. Graph. (2021)
Keyphrases
- three dimensional
- protein structure prediction
- similarity function
- molecular structures
- molecular dynamics
- clustering algorithm
- clustering method
- drug discovery
- similarity measure
- sequence similarity
- distance metric
- protein structure alignment
- similarity calculation
- similar objects
- spectral clustering
- van der waals
- dissimilarity measure
- drug design
- k means
- virtual screening
- cluster analysis
- distance function
- protein structure
- chemical reaction
- chemical reactions
- data clustering
- computational methods
- sequence analysis
- signaling pathways
- protein sequences
- protein function prediction
- semantic similarity