Aliev, AE; Courtier-Murias, D; Bhandal, S; 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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A combined experimental-computational method is reported for structure and dynamics elucidations of highly flexible open chain molecules in the solution state.
|Title:||A combined NMR/MD/QM approach for structure and dynamics elucidations in the solution state: pilot studies using tetrapeptides|
|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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