De novo design of quinazoline derivatives as CDK2 inhibitors: 3D-QSAR, molecular fragment replacement and Volsurf predictions

Molecular Simulation

Volumn 37, Issue 10, 2011, Pages 824-836

  Wang, Jian ^a   Chen, Ya Dong ^a   Liu, Hai Chun ^a   Lin, Guo Wu ^a   Yang, Tao Tao ^a   Yuan, Hao Liang ^a   Ran, Ting ^a   Lu, Shuai ^a   Zhang, Wei Wei ^a   Leng, Ying ^a   Lu, Tao ^a  

^a CHINA PHARMACEUTICAL UNIVERSITY   (China)

Author keywords

3D QSAR; ADME; cyclin dependent kinase 2; molecular fragment replacement; Volsurf

Indexed keywords

3D-QSAR; ADME; CYCLIN-DEPENDENT KINASE; MOLECULAR FRAGMENTS; VOLSURF;

COMPUTATIONAL CHEMISTRY; DESIGN; ENZYMES; MOLECULAR GRAPHICS; PHYSIOLOGY;

THREE DIMENSIONAL;

EID: 80052321276     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927022.2011.563302     Document Type: Article

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