Solvent and conformation dependence of amide I vibrations in peptides and proteins containing proline

We present a mixed quantum-classical model for studying the amide I vibrational dynamics (predominantly CO stretching) in peptides and proteins containing proline. There are existing models developed for determining frequencies of and couplings between the secondary amide units. However, these are n...

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Bibliographic Details
Main Authors: Roy, Santanu, Lessing, Joshua Aaron, Ganim, Ziad, Meisl, Georg Herbert, Tokmakoff, Andrei, Knoester, Jasper, Jansen, Thomas L. C.
Other Authors: Massachusetts Institute of Technology. Department of Chemistry
Format: Article
Language:en_US
Published: American Institute of Physics 2012
Online Access:http://hdl.handle.net/1721.1/73995