Research article
Exploring the binding of BACE-1 inhibitors using comparative binding energy analysis (COMBINE)
1 Guangdong Province Key Laboratory of Functional Molecules in Oceanic Microorganism, Zhong Shan School of Medicine, Sun Yat-Sen University, Guangzhou, 510080, People’s Republic of China
2 Department of Anatomy, Zhong Shan School of Medicine, Sun Yat-Sen University, Guangzhou, 510080, People’s Republic of China
BMC Structural Biology 2012, 12:21 doi:10.1186/1472-6807-12-21
Published: 27 August 2012Additional files
Additional file 1:
Figure S1. Data set of the 46 co-crystallized ligands of BACE-1 (Elarged pictures) Data set of the 46 co-crystallized ligands of BACE-1.
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Additional file 2:
Figure S2. Cartoon representation of the active site of the four BACE-1 X-ray structures used for the superposition study (1W51, 1FKN, 2OHL, and 2OHS are in green, cyan, magenta and yellow, respectively) with compound 1 shown as ball and sticks; hydrogen atoms are omitted for reasons of clarity.
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