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Coherent 2D-IR Spectroscopy of a Cyclic Decapeptide Antamanide. A Simulation Study of the Amide-I and A Bands
The two dimensional infrared photon echo spectrum of Antamanide (-(1)Val-(2)Pro-(3)Pro-(4)Ala-(5)Phe-(6)Phe-(7)Pro-(8)Pro-(9)Phe-(10)Pro-) in chloroform is calculated using an explicit solvent MD simulation combined with a DFT map for the effective vibrational Hamiltonian. Evidence for a strong intr...
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| Main Authors: | , , , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
2008
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2632550/ https://ncbi.nlm.nih.gov/pubmed/18781709 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp801493y |
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