2012 Fiscal Year Final Research Report
Theory of Aogorithms to Analyse Chemical Reaction Systems for Molecular Robotics
| Project/Area Number |
22500010
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Fundamental theory of informatics
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| Research Institution | The University of Electro-Communications |
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Principal Investigator |
KOBAYASHI Satoshi 電気通信大学, 大学院・情報理工学研究科, 教授 (50251707)
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| Co-Investigator(Renkei-kenkyūsha) |
YAMASHITA Masafumi 九州大学, 大学院・システム情報科学研究科, 教授 (00135419)
MURATA Satoshi 東北大学, 大学院・工学研究科, 教授 (10334533)
SUZUKI Yasuhiro 名古屋大学, 大学院・情報科学研究科, 准教授 (50292983)
KOMIYA Ken 東京工業大学, 大学院・総合理工学研究科, 助教 (20396790)
KUZUYA Akinori 関西大学, 工学部, 准教授 (00456154)
TAKINOUE Masahiro 東京工業大学, 大学院・総合理工学研究科, 講師 (20511249)
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| Project Period (FY) |
2010 – 2012
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| Keywords | 分子ロボット / 化学平衡 / 平衡状態計算 / シミュレーション |
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| Research Abstract |
We established a theory of efficiently computing an equilibrium of a complex chemical reaction system, where molecules interact in various ways to produce a large set of assemblies. In this theory, we used hypergraph theory and optimization theory in a unified manner, and succeeded in the recuction of the number of variables which are needed for the computation of chemical equilibrium. The theory was applied to the computation of equilibrium of intearacting nucleic ascid strands. It was also extendedly applied to the approximate and efficient simulation of kinetic folding of an RNA molecule.
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Research Products
(18 results)
