Computational fragment-based drug design to explore the hydrophobic subpocket of the mitotic kinesin Eg5 allosteric binding site.
Ksenia OguievetskaiaLaetitia Martin-ChanasArtem VorotyntsevOlivia Doppelt-AzeroualXavier BrotelStewart A. AdcockAlexandre G. de BrevernFrançois DelfaudFabrice MoriaudPublished in: J. Cheminformatics (2010)
Keyphrases
- drug design
- protein structure prediction
- protein protein
- binding sites
- protein sequences
- sequence alignment
- coarse grained
- protein structure
- graph theory
- amino acids
- dna sequences
- protein protein interactions
- protein folding
- quantitative structure activity
- fine grained
- statistical significance
- protein interaction
- sequence data
- computational methods
- interaction networks
- high throughput
- gene expression