2014 Fiscal Year Final Research Report
Study of Auto Quantum Chemical Calculation Method and Electron Structure Database for Proteins
| Project/Area Number |
25730174
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| Research Category |
Grant-in-Aid for Young Scientists (B)
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| Allocation Type | Multi-year Fund |
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| Research Field |
Life / Health / Medical informatics
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| Research Institution | The University of Tokyo |
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Principal Investigator |
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| Project Period (FY) |
2013-04-01 – 2015-03-31
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| Keywords | 量子化学 / タンパク質 / 電子状態計算 |
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| Outline of Final Research Achievements |
The electronic structure of proteins gives useful information in understanding its physical and reactive properties. In the electronic structure calculation of large molecules such as proteins, the modeling and single point calculation processes are complicated, so it is difficult to achieve. In this study, the programs that approximately automatically perform molecular modeling and the calculation of electronic structure have been developed. The developed programs have shown on the internet.
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| Free Research Field |
量子化学
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