| Budget Amount *help |
¥3,510,000 (Direct Cost: ¥2,700,000、Indirect Cost: ¥810,000)
Fiscal Year 2014: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2013: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
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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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