Directly Binding Rather than Induced-Fit Dominated Binding Affinity Difference in (S)- and (R)-Crizotinib Bound MTH1

Journal of Chemical Theory and Computation

Volumn 12, Issue 2, 2016, Pages 851-860

  Sun, Huiyong ^a   Chen, Pengcheng ^a,c   Li, Dan ^a   Li, Youyong ^d   Hou, Tingjun ^a,b  

^a ZHEJIANG UNIVERSITY   (China)

^b ZHEJIANG UNIVERSITY   (China)

^c ZHEJIANG UNIVERSITY   (China)

^d SOOCHOW UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

8-OXODGTPASE; ANTINEOPLASTIC AGENT; CRIZOTINIB; DNA LIGASE; PHOSPHATASE; PROTEIN BINDING; PYRAZOLE DERIVATIVE; PYRIDINE DERIVATIVE;

BINDING SITE; CHEMISTRY; HUMAN; METABOLISM; MOLECULAR DYNAMICS; PROTEIN TERTIARY STRUCTURE; STEREOISOMERISM; THERMODYNAMICS;

ANTINEOPLASTIC AGENTS; BINDING SITES; DNA REPAIR ENZYMES; HUMANS; MOLECULAR DYNAMICS SIMULATION; PHOSPHORIC MONOESTER HYDROLASES; PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY; PYRAZOLES; PYRIDINES; STEREOISOMERISM; THERMODYNAMICS;

EID: 84957939855     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/acs.jctc.5b00973     Document Type: Article

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