title: A combined NMR/MD/QM approach for structure and dynamics elucidations in the solution state: pilot studies using tetrapeptides.
abstract: A combined experimental-computational method is reported for structure and dynamics elucidations of highly flexible open chain molecules in the solution state.
authors.affiliation: Department of Chemistry, University College London, 20 Gordon Street, London, UK WC1H 0AJ. a.e.aliev@ucl.ac.uk
authors.forename: Abil E
authors.initials: AE
authors.lastname: Aliev
authors.forename: Denis
authors.initials: D
authors.lastname: Courtier-Murias
authors.forename: Simrath
authors.initials: S
authors.lastname: Bhandal
authors.forename: Shen
authors.initials: S
authors.lastname: Zhou
mesh_terms: D009682:Magnetic Resonance Spectroscopy; D056004:Molecular Dynamics Simulation; D015394:Molecular Structure; D009842:Oligopeptides / Q000737:chemistry*; D010865:Pilot Projects; D011789:Quantum Theory; D012996:Solutions
chemical_list: D009842:Oligopeptides; D012996:Solutions