Tracking alignment from the moment of inertia tensor (TRAMITE) of biomolecules in neutral dilute liquid crystal solutions

被引：60

作者：

Azurmendi, HF ^{[1
]}

Bush, CA ^{[1
]}

机构：

[1] Univ Maryland Baltimore Cty, Dept Chem & Biochem, Baltimore, MD 21250 USA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2002年 / 124卷 / 11期

关键词：

D O I：

10.1021/ja017524z

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

NMR residual dipolar couplings between couple of nuclei PQ, 1DPQ, measured on neutral dilute liquid crystal solutions, provide valuable long-range structural information of biomolecules. An accurate and simple method for the prediction of the alignment produced as consequence of sterical interactions between the solute and the bicelles is proposed called TRacking Alignment from Moment of Inertia TensorTRAMITE. The method use the information encoded in the moment of inertia of the molecules to calculate the orientation tensor and predict the 1DPQ values. Examples on proteins and oligosaccharides are presented which cover a wide range of sizes and shapes, along with a scheme for the application of the method to the analysis of flexible molecules. Copyright © 2002 American Chemical Society.

引用

页码：2426 / 2427

页数：2

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