Component vicinal coupling constants for calculating side-chain conformations in amino acids.
Component vicinal coupling constants for calculating side-chain conformations in amino acids.
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用于计算氨基酸侧链构象的组分邻位耦合常数。
DOI：
10.1111/j.1399-3011.1982.tb02663.x
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发表时间：
2009
期刊：
影响因子：
--
通讯作者：
C. Altona
中科院分区：
文献类型：
--
作者：
F. de Leeuw;C. Altona
通过对氨基酸侧链片段的X射线结构的统计分析，计算了三种侧链旋转异构体的平均质子-质子扭转角。结合推广的Karplus方程，计算了旋光异构体的极限偶合常数。目前推导出的集与出版的限制耦合常数集进行比较。
The averaged proton-proton torsion angles for the three side-chain rotamers in amino acids are calculated from a statistical analysis of X-ray structures of side-chain fragments. In combination with a generalized Karplus equation the limiting coupling constants for the rotamers are calculated. The presently deduced sets are compared with published sets of limiting coupling constants.