β-转角片段分子模拟物的设计标准。2. Cα-Cβ键向量分析。
Design criteria for molecular mimics of fragments of the beta-turn. 2. C alpha-C beta bond vector analysis.
作者信息
Garland S L, Dean P M
机构信息
Department of Pharmacology, University of Cambridge, U.K.
出版信息
J Comput Aided Mol Des. 1999 Sep;13(5):485-98. doi: 10.1023/a:1008014620568.
In a previous paper, we have shown the utility of cluster analysis for identifying patterns in the way the C alpha atoms of fragments of the beta-turn are distributed in three dimensions. This work has been extended to the C alpha-C beta bond vectors of 2- and 3-side-chain fragments. Again, distinct patterns emerge and 10 and 12 classes of vector orientation have been identified for the 2- and 3-vector problem, respectively. These clusters of vector distribution provide an optimal reduced set of design criteria for the de novo generation of novel peptidomimetics for fragments of the beta-turn.
在之前的一篇论文中，我们已经展示了聚类分析在识别β-转角片段的Cα原子在三维空间中分布方式的模式方面的效用。这项工作已扩展到2-和3-侧链片段的Cα-Cβ键向量。同样，出现了不同的模式，并且分别为2-向量和3-向量问题确定了10类和12类向量方向。这些向量分布簇为从头生成β-转角片段的新型拟肽提供了一组最佳的简化设计标准。
Zotero 插件