| Budget Amount *help |
¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2017: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2016: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2015: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2014: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
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| Outline of Final Research Achievements |
In this project, between 2014 and 2017, we investigated the optimal parameters with respect to replica-exchange molecular dynamics method and simulated-tempering method, which are important for biomolecular simulation. In both methods, it is necessary to perform molecular dynamics simulation at a temperature higher than the temperature at which we want to examine actually. However, such high temperature molecular dynamics simulation is unstable. As a method to eliminate this problem, a mass-scaling method has been developed.
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