PMID-sentid Pub_year Sent_text comp_official_name comp_offsetprotein_name organism prot_offset 17713901-2 2007 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 197-208 cyclin dependent kinase 2 Homo sapiens 168-172 17713901-5 2007 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 30-41 cyclin dependent kinase 2 Homo sapiens 45-49 17713901-5 2007 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 30-41 cyclin dependent kinase 2 Homo sapiens 261-265