| Budget Amount *help |
¥4,420,000 (Direct Cost: ¥3,400,000、Indirect Cost: ¥1,020,000)
Fiscal Year 2019: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2018: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2017: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
|
|---|
| Outline of Final Research Achievements |
In the protein electronic state calculation, we have improved the speed and efficiency of the electronic state calculation, and the structure of the calculation and the automation of the electronic state calculation based on the QCLO method: the electronic state calculation was accelerated by the GPU, and achieved with the limited resources of the memory-mapped file. We have developed an interaction analysis tool based on electronic state calculations and confirmed its usefulness in small-scale protein experiments.
The developed source code has been available on the Internet.
|
