Three-dimensional structural similarity search of proteins based on Geometrical Fragment Spectra
Project/Area Number |
19700139
|
Research Category |
Grant-in-Aid for Young Scientists (B)
|
Allocation Type | Single-year Grants |
Research Field |
Intelligent informatics
|
Research Institution | Toyohashi University of Technology |
Principal Investigator |
KATO Hiroaki Toyohashi University of Technology, 工学部, 講師 (30303704)
|
Project Period (FY) |
2007 – 2009
|
Project Status |
Completed (Fiscal Year 2009)
|
Budget Amount *help |
¥3,800,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥600,000)
Fiscal Year 2009: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2008: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2007: ¥1,200,000 (Direct Cost: ¥1,200,000)
|
Keywords | 分子構造情報処理 / 三次元構造類似性 / 構造活性相関 / 生体生命情報学 / タンパク質モチーフ / 化学グラフ / 構造データマイニング / タンパク質構造分類 / タンパク質 / GFS |
Research Abstract |
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.
|
Report
(4 results)
Research Products
(10 results)