Dobeš, Petr; Otyepka, M.; Strnad, Miroslav; Hobza, Pavel
CHEMISTRY - A EUROPEAN JOURNAL
12 [16]:
4297-4304,
2006
Keywords:
ab initio calculations; cyclin-dependent kinase; roscovitine
Abstract:
The total stabilisation energy between roscovitine and cyclin-dependent kinase 2 (cdk2) is very large (66 kcal/mol) and orignates predominatly from dispersion energy. A few amino acid residues contribute significantly to the binding of roscovitine and cdk2, whereas many amino acids make a negligible contribution.
IEB authors: Miroslav Strnad
Čeština
English