Three-dimensional structural similarity search of proteins based on Geometrical Fragment Spectra
Three-dimensional structural similarity search of proteins based on Geometrical Fragment Spectra
批准号:
19700139
负责人:
KATO Hiroaki
金额:
$2.43万
依托单位国家:
日本
项目类别:
Grant-in-Aid for Young Scientists (B)
财政年份:
2007
资助国家:
日本
项目状态:
已结题
起止时间:
2007 至 2009
中文摘要
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英文摘要
In the present work, to describe 3D structural feature of a molecule, Geometrical Fragment Spectra (GFS) method has been proposed. Based on the GFS representation, structure similarity search was carried out for odorant molecules. As a result, the authors successfully found the molecules that have similar odor but quite different topological structure with a query molecule. We also tried to apply the method to structure similarity searching for proteins using a reduced representation of protein structures. The results show that the present approach is quite useful for 3D structural data mining for proteins.
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2008
期刊:
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发表时间:
2009
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[中谷光裕, 加藤博明]
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2008
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发表时间:
2008
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通讯作者:
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