Dynamics and binding modes of free cdk2 and its two complexes with inhibitors studied by computer simulations.
about
Structure-kinetic relationship study of CDK8/CycC specific compoundsFunctional flexibility of human cyclin-dependent kinase-2 and its evolutionary conservation.The mechanism of inhibition of the cyclin-dependent kinase-2 as revealed by the molecular dynamics study on the complex CDK2 with the peptide substrate HHASPRKActivation and inhibition of cyclin-dependent kinase-2 by phosphorylation; a molecular dynamics study reveals the functional importance of the glycine-rich loop.Interaction energies for the purine inhibitor roscovitine with cyclin-dependent kinase 2: correlated ab initio quantum-chemical, DFT and empirical calculations.Role of interactions and volume variation in discriminating active and inactive forms of cyclin-dependent kinase-2 inhibitor complexes.Transferable scoring function based on semiempirical quantum mechanical PM6-DH2 method: CDK2 with 15 structurally diverse inhibitors.Analysis of CDK2 active-site hydration: a method to design new inhibitors.Loop flexibility and solvent dynamics as determinants for the selective inhibition of cyclin-dependent kinase 4: comparative molecular dynamics simulation studies of CDK2 and CDK4.Molecular motions of human cyclin-dependent kinase 2.Study of a ligand complexed with Cdk2/Cdk4 by computer simulation.Different mechanisms of CDK5 and CDK2 activation as revealed by CDK5/p25 and CDK2/cyclin A dynamics.Study of the inhibition of cyclin-dependent kinases with roscovitine and indirubin-3'-oxime from molecular dynamics simulations.Large-scale compensation of errors in pairwise-additive empirical force fields: comparison of AMBER intermolecular terms with rigorous DFT-SAPT calculations
P2860
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P2860
Dynamics and binding modes of free cdk2 and its two complexes with inhibitors studied by computer simulations.
description
2002 nî lūn-bûn
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2002年の論文
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2002年学术文章
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2002年学术文章
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2002年学术文章
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2002年学术文章
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@zh-my
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name
Dynamics and binding modes of ...... udied by computer simulations.
@en
Dynamics and binding modes of ...... udied by computer simulations.
@nl
type
label
Dynamics and binding modes of ...... udied by computer simulations.
@en
Dynamics and binding modes of ...... udied by computer simulations.
@nl
prefLabel
Dynamics and binding modes of ...... udied by computer simulations.
@en
Dynamics and binding modes of ...... udied by computer simulations.
@nl
P2860
P1476
Dynamics and binding modes of ...... udied by computer simulations.
@en
P2093
Zdenek Kríz
P2860
P304
P356
10.1080/07391102.2002.10506830
P577
2002-10-01T00:00:00Z