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Exploring the binding of BACE-1 inhibitors using comparative binding energy analysis (COMBINE)

Overview of attention for article published in BMC Molecular and Cell Biology, August 2012
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Title
Exploring the binding of BACE-1 inhibitors using comparative binding energy analysis (COMBINE)
Published in
BMC Molecular and Cell Biology, August 2012
DOI 10.1186/1472-6807-12-21
Pubmed ID
Authors

Shu Liu, Rao Fu, Xiao Cheng, Sheng-Ping Chen, Li-Hua Zhou

Abstract

The inhibition of the activity of β-secretase (BACE-1) is a potentially important approach for the treatment of Alzheimer disease. To explore the mechanism of inhibition, we describe the use of 46 X-ray crystallographic BACE-1/inhibitor complexes to derive quantitative structure-activity relationship (QSAR) models. The inhibitors were aligned by superimposing 46 X-ray crystallographic BACE-1/inhibitor complexes, and gCOMBINE software was used to perform COMparative BINding Energy (COMBINE) analysis on these 46 minimized BACE-1/inhibitor complexes. The major advantage of the COMBINE analysis is that it can quantitatively extract key residues involved in binding the ligand and identify the nature of the interactions between the ligand and receptor.

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X Demographics

The data shown below were collected from the profile of 1 X user who shared this research output. Click here to find out more about how the information was compiled.
Mendeley readers

Mendeley readers

The data shown below were compiled from readership statistics for 45 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
Russia 1 2%
Unknown 44 98%

Demographic breakdown

Readers by professional status Count As %
Researcher 12 27%
Student > Bachelor 7 16%
Student > Ph. D. Student 6 13%
Student > Doctoral Student 4 9%
Student > Master 4 9%
Other 8 18%
Unknown 4 9%
Readers by discipline Count As %
Chemistry 10 22%
Agricultural and Biological Sciences 8 18%
Biochemistry, Genetics and Molecular Biology 4 9%
Computer Science 4 9%
Medicine and Dentistry 4 9%
Other 8 18%
Unknown 7 16%
Attention Score in Context

Attention Score in Context

This research output has an Altmetric Attention Score of 1. This is our high-level measure of the quality and quantity of online attention that it has received. This Attention Score, as well as the ranking and number of research outputs shown below, was calculated when the research output was last mentioned on 28 August 2012.
All research outputs
#20,656,161
of 25,373,627 outputs
Outputs from BMC Molecular and Cell Biology
#935
of 1,233 outputs
Outputs of similar age
#147,081
of 187,177 outputs
Outputs of similar age from BMC Molecular and Cell Biology
#12
of 21 outputs
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We're also able to compare this research output to 21 others from the same source and published within six weeks on either side of this one. This one is in the 14th percentile – i.e., 14% of its contemporaries scored the same or lower than it.