| Budget Amount *help |
¥4,940,000 (Direct Cost: ¥3,800,000、Indirect Cost: ¥1,140,000)
Fiscal Year 2016: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2015: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2014: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
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| Outline of Final Research Achievements |
Carbohydrates in general play important roles in various aspects of biological functions from the molecular level to macro-scale biological phenomena. In these processes, the atomistic basis of carbohydrate function is considered to be a molecular interaction between complex carbohydrates and target proteins. In contrast to their importance in various biological functions, atomistic details of carbohydrate recognition remain elusive at present. To advance our knowledge of carbohydrate recognitions, we have proposed a hybrid computational modeling strategy which combines MD sampling and QM/MM calculations.
First, we applied our methodology to one important system, the virus infection process by the norovirus capsid protein. Based on hybrid modeling analysis, we discuss the molecular basis of carbohydrate recognition between the capsid protein domain and Lewis antigens. We also mention another enzymatic system that hydrolyzes carbohydrate chains in a biomass degrading process.
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