排序方式: 共有4条查询结果,搜索用时 15 毫秒
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我们在论文[5]所提出的平衡态统计力学模型基础上发展了一个血红蛋白(或变构酶)的统计动力学,导出的基本动力学建立了MWC模型的静的统计理论与动力学理论之间的联系.计算结果与实验数据吻合令人满意. 相似文献
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用"相对熵"作为优化函数,提出了一个有效快速的折叠预测优化算法.使用了非格点模型,预测只关心蛋白质主链的走向.其中只用到了蛋白质主链上的两两连续的Cα原子间的距离信息以及20种氨基酸的接触势的一个扩展形式.对几个真实蛋白质做了算法测试,预测的初始结构都为比较大的去折叠态,预测构象相对于它们天然结构的均方根偏差(RMSD)为5~7 A.从原理上讲,该方法是对能量优化的改进. 相似文献
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A new approach for protein design based on the relative entropy 总被引:2,自引:0,他引:2
A new effective and fast minimization approach completely based on the physical theory is proposed for protein design. The
sequence space is essentially searched according to the Boltzmann distribution. In this approach, the relative entropy is
used as a minimization object function. The method has been tested on an off-lattice model of proteins and the results are
better than those obtained from other similar work. Therefore, it can be applied as a uniform frame for both folding and inverse
folding of proteins. 相似文献
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