Better partitions of protein graphs for subsystem quantum chemistry.
Moritz von LoozMario WolterChristoph R. JacobHenning MeyerhenkePublished in: CoRR (2016)
Keyphrases
- protein protein interaction networks
- chemical reactions
- protein interaction networks
- protein structure
- protein sequences
- graph matching
- amino acids
- chemical compounds
- clustering algorithm
- graph theoretic
- protein structure prediction
- quantum computation
- quantum computing
- functional modules
- protein folding
- protein protein interactions
- graph databases
- graph mining
- weighted graph
- graph structure
- organic chemistry
- graph theory
- drug discovery
- graph representation
- quantum mechanics
- subcellular localization