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Conformational Preferences of Gas‐Phase Helices: Experiment and Theory Struggle to Agree: The Seven‐Residue Peptide Ac‐Phe‐(Ala) 5 ‐Lys‐H +
Author(s) -
Xie Yaoming,
Schaefer Henry F.,
SilaghiDumitrescu Radu,
Peng Bin,
Li Qianshu,
Stearns Jaime A.,
Rizzo Thomas R.
Publication year - 2012
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201202068
Subject(s) - residue (chemistry) , peptide , gas phase , chemistry , stereochemistry , crystallography , biochemistry
Peptide conformations : IR/UV double‐resonance spectroscopy suggested relative energies for four peptide conformations (see figure). These results cannot be reproduced by any of 19 density functional methods.