Aliev, AE and Courtier-Murias, D and Bhandal, S and Zhou, S (2010) A combined NMR/MD/QM approach for structure and dynamics elucidations in the solution state: pilot studies using tetrapeptides. CHEM COMMUN , 46 (5) 695 - 697. 10.1039/b910499b.
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Abstract
A combined experimental-computational method is reported for structure and dynamics elucidations of highly flexible open chain molecules in the solution state.
| Type: | Article |
|---|---|
| Title: | A combined NMR/MD/QM approach for structure and dynamics elucidations in the solution state: pilot studies using tetrapeptides |
| DOI: | 10.1039/b910499b |
| Keywords: | FORCE-FIELD, PEPTIDE BACKBONE, NMR-SPECTROSCOPY, SIMULATIONS, STRATEGIES, PROTEINS, ALANINE, WATER |
| UCL classification: | UCL > School of BEAMS > Faculty of Maths and Physical Sciences > Chemistry |
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