Importance of protein flexibility in ranking inhibitor affinities: Modeling the binding mechanisms of piperidine carboxamides as type i1/2 ALK inhibitors

Physical Chemistry Chemical Physics

Volumn 17, Issue 8, 2015, Pages 6098-6113

  Kong, Xiaotian ^a   Pan, Peichen ^b   Li, Dan ^b   Tian, Sheng ^a   Li, Youyong ^a   Hou, Tingjun ^a,b  

^a SOOCHOW UNIVERSITY   (China)

^b ZHEJIANG UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

AMIDE; ANAPLASTIC LYMPHOMA KINASE; PIPERIDINE; PIPERIDINE DERIVATIVE; PROTEIN BINDING; PROTEIN KINASE INHIBITOR; PROTEIN TYROSINE KINASE;

ANTAGONISTS AND INHIBITORS; BINDING SITE; CHEMICAL PHENOMENA; CHEMISTRY; ENTROPY; METABOLISM; MOLECULAR DOCKING; PROTEIN TERTIARY STRUCTURE; STRUCTURE ACTIVITY RELATION;

AMIDES; BINDING SITES; ENTROPY; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; MOLECULAR DOCKING SIMULATION; PIPERIDINES; PROTEIN BINDING; PROTEIN KINASE INHIBITORS; PROTEIN STRUCTURE, TERTIARY; RECEPTOR PROTEIN-TYROSINE KINASES; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84923362888     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/c4cp05440g     Document Type: Article

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