Budget Amount *help |
¥18,070,000 (Direct Cost: ¥13,900,000、Indirect Cost: ¥4,170,000)
Fiscal Year 2015: ¥5,200,000 (Direct Cost: ¥4,000,000、Indirect Cost: ¥1,200,000)
Fiscal Year 2014: ¥6,110,000 (Direct Cost: ¥4,700,000、Indirect Cost: ¥1,410,000)
Fiscal Year 2013: ¥6,760,000 (Direct Cost: ¥5,200,000、Indirect Cost: ¥1,560,000)
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Outline of Final Research Achievements |
The rotation mechanism of molecular motor V-ATPase, which transports ions utilizing ATP-hydrolysis energies, was studied using molecular dynamics (MD) simulations. Multiscale MD simulations employing both an all-atom model involving hydrogen atoms and a coarse-grained model approximating amino acids as particles successfully reproduced the rotation of a central stalk in V-ATPase. From analyses of the trajectories, the rotation mechanism of V-ATPase was elucidated structurally.
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