Pub. Date : 2007 Sep-Oct
PMID : 17713901
3 Functional Relationships(s)Download |
Sentence | Compound Name | Protein Name | Organism |
| 1 | In the present paper, eight Molecular Dynamics (MD) simulations are carried out to examine the importance of structure and dynamics of water in the active site of both CDK2 and CDK5 complexes with roscovitine and indirubin analogues. | Roscovitine | cyclin dependent kinase 2 | Homo sapiens |
| 2 | Different binding patterns of roscovitine in CDK2 and CDK5 are detected during the simulations because of the different binding conformations of the group on the C2 side chain, which might offer a clue toward finding highly selective inhibitors with regards to CDK2 and CDK5. | Roscovitine | cyclin dependent kinase 2 | Homo sapiens |
| 3 | Different binding patterns of roscovitine in CDK2 and CDK5 are detected during the simulations because of the different binding conformations of the group on the C2 side chain, which might offer a clue toward finding highly selective inhibitors with regards to CDK2 and CDK5. | Roscovitine | cyclin dependent kinase 2 | Homo sapiens |