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从量子跃迁观点对蛋白质折叠速率的统计分析

, PP. 68-83

Keywords: 量子折叠,蛋白质折叠速率,温度依赖,扭转模式数,折叠自由能

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Abstract:

理解蛋白质折叠速率是探明蛋白质结构和折叠机制物理基础的关键.蛋白质折叠速率的温度依赖关系是当前一个未解决的难题.假定蛋白质折叠是一个分子构象间的量子跃迁,导出了一个蛋白质折叠速率的解析公式.由此公式出发,计算了资料库中二态蛋白质的折叠速率和研究了它们的温度依赖性.从第一性原理出发,对实验给出的16个二态蛋白质折叠速率的非阿列尼乌斯(non-Arrhenius)温度关系给予成功解释,进而预测了这些蛋白质解折叠速率的温度依赖关系.依据量子折叠理论,给出了一个预测二态蛋白质折叠速率的统计公式,用于65个蛋白的资料库,理论和实验比较的相关系数为0.73.此外,理论还给出了与实验结果一致的最大和最小折叠速率估计.

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