| Budget Amount *help |
¥119,400,000 (Direct Cost: ¥119,400,000)
Fiscal Year 2010: ¥19,800,000 (Direct Cost: ¥19,800,000)
Fiscal Year 2009: ¥28,300,000 (Direct Cost: ¥28,300,000)
Fiscal Year 2008: ¥28,300,000 (Direct Cost: ¥28,300,000)
Fiscal Year 2007: ¥23,200,000 (Direct Cost: ¥23,200,000)
Fiscal Year 2006: ¥19,800,000 (Direct Cost: ¥19,800,000)
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| Research Abstract |
Molecular mechanism of chemical-mechanical conversion of a reversible rotary motor protein, F1-ATPase, was revealed in electronic and atomic details through molecular simulations. Molecular mechanisms of catalysis of ATP hydrolysis and its regulation were elucidated by means of a hybrid quantum mechanical/molecular mechanical method. Based on the reaction profile revealed, a mutant enzyme with increased catalytic activity was designed theoretically. Molecular dynamics simulations unveiled in an atomic detail protein structural changes responsible for the motor motion.
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