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METHOD AND APPARATUS FOR DISTANCE MEASUREMENTS WITH SOLID-STATE NMR

机译:固态NMR测距的方法和装置

摘要

This invention includes methods for analyzing data generated by various solid-state NMR experiments, including rotational echo double resonance (REDOR), transferred echo double resonance (TEDOR), dipolar recoupling at the magic angle (DRAMA), dipolar recoupling with a windowless sequence (DRAWS), and melding of spin-locking and DRAMA (MELODRAMA). The methods are based alternately on a new analytical transform or the maximum entropy method and their multidimensional extensions. They permit simultaneous, multiple distance measurements of high accuracy and precision, even from nuclei with identical chemical shifts. By providing high quality easily obtained distance measurement from disordered solid state materials, this invention also improves drug discovery and design through fast determination of structures of pharmaceutical lead compounds, drug molecules, or their targets.
机译:本发明包括用于分析由各种固态NMR实验产生的数据的方法,包括旋转回波双共振(REDOR),转移回波双共振(TEDOR),魔角双极耦合(DRAMA),无窗序列的双极耦合( DRAWS),以及自旋锁和DRAMA(MELODRAMA)的融合。这些方法交替地基于新的解析变换或最大熵方法及其多维扩展。它们甚至可以从具有相同化学位移的核进行同时,高精度和高精度的多距离测量。通过提供从无序固态材料获得的高质量容易获得的距离测量,本发明还通过快速确定药物前导化合物,药物分子或其靶标的结构来改善药物发现和设计。

著录项

  • 公开/公告号EP0990141A4

    专利类型

  • 公开/公告日2001-07-25

    原文格式PDF

  • 申请/专利权人 CURAGEN CORPORATION;

    申请/专利号EP19970925527

  • 申请日1997-05-12

  • 分类号G01N24/12;G01N33/53;G01R33/46;G06F19/00;G06F159/00;

  • 国家 EP

  • 入库时间 2022-08-22 01:16:29

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