| Budget Amount *help |
¥58,110,000 (Direct Cost: ¥44,700,000、Indirect Cost: ¥13,410,000)
Fiscal Year 2014: ¥9,620,000 (Direct Cost: ¥7,400,000、Indirect Cost: ¥2,220,000)
Fiscal Year 2013: ¥10,140,000 (Direct Cost: ¥7,800,000、Indirect Cost: ¥2,340,000)
Fiscal Year 2012: ¥10,660,000 (Direct Cost: ¥8,200,000、Indirect Cost: ¥2,460,000)
Fiscal Year 2011: ¥17,940,000 (Direct Cost: ¥13,800,000、Indirect Cost: ¥4,140,000)
Fiscal Year 2010: ¥9,750,000 (Direct Cost: ¥7,500,000、Indirect Cost: ¥2,250,000)
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| Outline of Final Research Achievements |
Normal mode analysis was applied to lysozyme, calculated its compressibility and its change associated with the molecular evolution, while relaxation mode analysis was applied to chignolin and extracted reaction coordinates for folding/unfolding transitions. The ligand migration mechanism of myoglobin was studied by molecular dynamics simulation and time-resolved x-ray crystallography, and we obtained 3D maps of potential of mean force for placing carbon monoxide into the myoglobin molecule. A new method was proposed to analyze the residue-residue interactions, and the “crosstalk” among interacting residues was represented as a graph of energy exchange network. As an example, we analyzed the properties of a small globular domain, PDZ3, which is well known to exhibit single domain allostery. The active site formation mechanism of blue-light photoreceptor family proteins was investigated by in silico mutation and fragment molecular orbital calculations with electron correlations.
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