| Budget Amount *help |
¥4,420,000 (Direct Cost: ¥3,400,000、Indirect Cost: ¥1,020,000)
Fiscal Year 2013: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2012: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2011: ¥2,340,000 (Direct Cost: ¥1,800,000、Indirect Cost: ¥540,000)
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| Research Abstract |
Molecular dynamics (MD) simulation is a powerful tool that is widely used to elucidate dynamic behavior of proteins and to reveal molecular mechanisms of their functions at an atomic resolution. Protein motions occur over a wide range of time scales, but not all are important for protein functions.
Because time scales of the functions are generally longer, it would be reasonable to consider that slower motions of proteins are more relevant to their functions. To identify and examine such slow dynamics of proteins from MD simulation results, we recently proposed a method of time-structure based independent component analysis (tICA). The results of its application to MD trajectories of proteins demonstrated the validity and usefulness of the tICA.
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