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2015 Fiscal Year Final Research Report

Molecular simulation study on the rotation mechanism of V-ATPase

Research Project

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Project/Area Number 25291036
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypePartial Multi-year Fund
Section一般
Research Field Biophysics
Research InstitutionYokohama City University

Principal Investigator

IKEGUCHI Mitsunori  横浜市立大学, 生命医科学研究科, 教授 (60261955)

Co-Investigator(Renkei-kenkyūsha) MURATA Takeshi  千葉大学, 理学研究科, 教授 (80415322)
Project Period (FY) 2013-04-01 – 2016-03-31
KeywordsV型ATPase / 分子動力学 / マルチスケールシミュレーション / 分子モーター
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.

Free Research Field

生物物理学

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Published: 2017-05-10  

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