Improving the accuracy of pose prediction in molecular docking via structural filtering and conformational clustering

Chinese Chemical Letters

Volumn 24, Issue 11, 2013, Pages 1001-1004

  Peng, Shi Ming ^a,c   Zhou, Yu ^b,c   Huang, Niu ^c  

^a CHINA AGRICULTURAL UNIVERSITY   (China)

^b BEIJING NORMAL UNIVERSITY   (China)

^c NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES   (China)

Author keywords

Conformational clustering; Molecular docking; Pose prediction; Structural descriptor

Indexed keywords

EID: 84886085616     PISSN: 10018417     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cclet.2013.06.016     Document Type: Article

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