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Volumn 12, Issue 16, 2006, Pages 4297-4304

Interaction energies for the purine inhibitor roscovitine with cyclin-dependent kinase 2: Correlated ab initio quantum-chemical, DFT and empirical calculations

(4) Dobeš, Petr a Otyepka, Michal b Strnad, Miroslav b Hobza, Pavel a,b

a INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY (Czech Republic)

b PALACKÝ UNIVERSITY (Czech Republic)

Author keywords

Ab initio calculations; Cyclin dependent kinase; Density functional calculations; Molecular mechanics; Roscovitine

Indexed keywords

AMINO ACIDS; BINDING ENERGY; CORRELATION METHODS; QUANTUM THEORY; THERMODYNAMICS;

AB INITIO CALCULATIONS; CYCLIN-DEPENDENT KINASE; DENSITY FUNCTIONAL CALCULATIONS; MOLECULAR MECHANICS; ROSCOVITINE;

ENZYME INHIBITION;

CYCLIN DEPENDENT KINASE 2; PROTEIN KINASE INHIBITOR; PURINE DERIVATIVE; ROSCOVITINE;

AMINO ACID SEQUENCE; ARTICLE; CHEMICAL MODEL; CHEMISTRY; HUMAN; MATHEMATICAL COMPUTING; PROTEIN CONFORMATION; THERMODYNAMICS;

AMINO ACID SEQUENCE; CYCLIN-DEPENDENT KINASE 2; HUMANS; MATHEMATICAL COMPUTING; MODELS, CHEMICAL; PROTEIN CONFORMATION; PROTEIN KINASE INHIBITORS; PURINES; THERMODYNAMICS;

EID: 33744787044 PISSN: 09476539 EISSN: 15213765 Source Type: Journal
DOI: 10.1002/chem.200501269 Document Type: Article

Times cited : (23)

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