A combined NMR/MD/QM approach for structure and dynamics elucidations in the solution state: pilot studies using tetrapeptides

被引：11

作者：

Aliev, Abil E. ^{[1
]}

Courtier-Murias, Denis ^{[1
]}

Bhandal, Simrath ^{[1
]}

Zhou, Shen ^{[1
]}

机构：

[1] UCL, Dept Chem, London WC1H 0AJ, England

来源：

CHEMICAL COMMUNICATIONS | 2010年 / 46卷 / 05期

关键词：

FORCE-FIELD; PEPTIDE BACKBONE; NMR-SPECTROSCOPY; SIMULATIONS; STRATEGIES; PROTEINS; ALANINE; WATER;

D O I：

10.1039/b910499b

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A combined experimental-computational method is reported for structure and dynamics elucidations of highly flexible open chain molecules in the solution state.

引用

页码：695 / 697

页数：3

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