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中文摘要：
次级主动运载体蛋白跨膜传输底物的具体机理对于人们深刻认识物质进出细胞的过程和研究细胞代谢具有极其重要的生物学意义。本项目拟通过发展完善CUDA加速的分子动力学模拟程序，结合已有的实验结果，综合运用分子动力学和量化计算方法，对核苷碱基-阳离子同向传输家族成员Mhp1传输底物的完整过程进行深入的理论研究，揭示出底物在蛋白中的具体传输路径及传输过程中与钠离子之间的耦合作用，确定底物传输时蛋白的不同构象状态及彼此间的转化，明晰重要氨基酸残基在底物传输过程中的功能。以此为基础，拓展研究该家族其它成员的底物传输机理。通过比较和分析，总结出该运载体蛋白家族成员的普遍机理，为深入研究这类蛋白的生理功能提供理论指导，并深化人们对次级主动运载体蛋白传输底物具体机理的认识。
结论摘要：
英文主题词secondary active transporter；substrate transport；molecular dynamics simulation；free energy；external electric field
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期刊论文
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