Conformational Preferences of Gas-Phase Helices: Experiment and Theory Struggle to Agree: The Seven-Residue Peptide Ac-Phe-(Ala)5-Lys-H+

Autor:	Yaoming Xie, Bin Peng, Jaime A. Stearns, Radu Silaghi-Dumitrescu, Qian-shu Li, Thomas R. Rizzo, Henry F. Schaefer
Rok vydání:	2012
Předmět:	Spectrophotometry Infrared Protein Conformation Stereochemistry Molecular Conformation Infrared spectroscopy Peptide 010402 general chemistry 01 natural sciences Catalysis Gas phase Residue (chemistry) Protein structure Computational chemistry Functional methods 0103 physical sciences Spectroscopy chemistry.chemical_classification 010304 chemical physics Chemistry Hydrogen bond Organic Chemistry Hydrogen Bonding General Chemistry 0104 chemical sciences Quantum Theory Thermodynamics Spectrophotometry Ultraviolet Gases Peptides Oligopeptides
Zdroj:	CHEMISTRY-A EUROPEAN JOURNAL
DOI:	10.1002/chem.201202068
Popis:	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.
Databáze:	OpenAIRE
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