Better Partitions of Protein Graphs for Subsystem Quantum Chemistry.
Moritz von LoozMario WolterChristoph R. JacobHenning MeyerhenkePublished in: SEA (2016)
Keyphrases
- chemical reactions
- protein protein interaction networks
- protein interaction networks
- quantum computation
- clustering algorithm
- chemical compounds
- amino acids
- protein structure
- protein sequences
- contact map
- vertex set
- organic chemistry
- graph model
- graph kernels
- maximum clique
- protein function
- molecular dynamics
- graph structure
- graph matching
- amino acid sequences
- pattern mining
- directed graph
- drug design
- sequence analysis
- protein structure prediction
- graph databases
- graph mining
- graph theory