Residue-residue potential function for conformational analysis of proteins
Residue-residue potential function for conformational analysis of proteins
复制标题
用于蛋白质构象分析的残基-残基势函数
DOI：
10.1021/j150609a022
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发表时间：
1981
期刊：
影响因子：
--
通讯作者：
G. Crippen
中科院分区：
文献类型：
--
作者：
M. Oobatake;G. Crippen
X射线结构，最小能量结构位于1.10和2.58 μ m之间的均方根偏差从各自的X射线结构。本文给出了多维空间中随机结构受扰动后，通过能量极小化仍能返回极小化结构的收敛半径的蒙特-卡罗估计的一个简便图。我们提出这一措施作为一个普遍有用的评估的效用的潜在功能的构象计算。
X-ray structures, the minimum-energy structures lay between 1.10 and 2.58 Á root-mean-square deviationfrom the respective X-ray structures. A convenient diagram is presented for the Monte-Carlo estimationof the radius of convergence in multidimensional space at which a random structure perturbed from the minimized structure will still returnto the minimized structure through energy minimization. We propose this measure as a generally useful assessment of the utility of a potential function for conformational calculations.