Characterizing Aqueous Solution Conformations of a Peptide Backbone Using Raman Optical Activity Computations

Mounting spectroscopic evidence indicates that alanine predominantly adopts extended polyproline II (PPII) conformations in short polypeptides. Here we analyze Raman optical activity (ROA) spectra of N-acetylalanine-N′-methylamide (Ala dipeptide) in H2O and D2O using density functional theory on Mon...

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Veröffentlicht in:	Biophysical journal 2008-12, Vol.95 (12), p.5574-5586
Hauptverfasser:	Mukhopadhyay, Parag, Zuber, Gérard, Beratan, David N.
Format:	Artikel
Sprache:	eng
Schlagworte:	Aqueous chemistry Biophysical Theory and Modeling Cluster analysis Computation Computer simulation Density functional theory Dipeptides - chemistry Monte Carlo Method Monte Carlo methods Optical activity Peptides Protein Conformation Quantum Theory Similarity Solutions Spectra Spectrum analysis Spectrum Analysis, Raman Water - chemistry
Online-Zugang:	Volltext
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