| Budget Amount *help |
¥149,760,000 (Direct Cost: ¥115,200,000、Indirect Cost: ¥34,560,000)
Fiscal Year 2018: ¥32,760,000 (Direct Cost: ¥25,200,000、Indirect Cost: ¥7,560,000)
Fiscal Year 2017: ¥32,760,000 (Direct Cost: ¥25,200,000、Indirect Cost: ¥7,560,000)
Fiscal Year 2016: ¥45,110,000 (Direct Cost: ¥34,700,000、Indirect Cost: ¥10,410,000)
Fiscal Year 2015: ¥24,440,000 (Direct Cost: ¥18,800,000、Indirect Cost: ¥5,640,000)
Fiscal Year 2014: ¥14,690,000 (Direct Cost: ¥11,300,000、Indirect Cost: ¥3,390,000)
|
|---|
| Outline of Final Research Achievements |
We developed new methods combining experimental information with simulation data to obtain reliable structure-dynamics relationship of proteins. Generally, experimental data tend to be low-resolution and low-dimension, whereas simulation can provide high-resolution structural information. In our methods, we combined cryo-EM with MD simulation in flexible fitting calculation and utilized machine learning for combining single-molecule analysis with MD simulation. The developed methods were installed into GENESIS software package and can be used together with enhanced sampling methods and multi-scale/multi-resolution molecular models. We applied these methods to understand structure-dynamics relationships of membrane proteins or protein/nucleic acid complexes.
|
