Computational fragment-based drug design to explore the hydrophobic sub-pocket 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. Comput. Aided Mol. Des. (2009)
Keyphrases
- data analysis
- drug design
- protein structure prediction
- protein protein
- binding sites
- protein sequences
- protein structure
- protein protein interactions
- sequence alignment
- computational biology
- knowledge discovery
- graph theory
- amino acids
- computational methods
- secondary structure
- quantitative structure activity
- coarse grained
- text mining
- pairwise
- transcription factors
- drug discovery
- protein interaction
- sequence data