Issue 5, 2010
From the journal:

Chemical Communications

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

Abil E. Aliev,*a   Denis Courtier-Murias,a   Simrath Bhandala  and  Shen Zhoua  

* Corresponding authors

a Department of Chemistry, University College London, 20 Gordon Street, London, UK
E-mail: a.e.aliev@ucl.ac.uk
Fax: +44 20 7679 7463
Tel: +44 20 7679 4654

Abstract

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

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

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Article information

DOI
https://doi.org/10.1039/B910499B
Article type
Communication
Submitted
28 May 2009
Accepted
31 Oct 2009
First published
17 Dec 2009

Chem. Commun., 2010,46, 695-697

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

A. E. Aliev, D. Courtier-Murias, S. Bhandal and S. Zhou, Chem. Commun., 2010, 46, 695 DOI: 10.1039/B910499B

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