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5. Using 2D IR Spectra to discriminate β-hairpin peptides' folding landscape based on the implicit

Using 2D IR Spectra to discriminate β-hairpin peptides' folding landscape based on the implicit

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：jcd041991

【摘 要】

：

Based on the theoretical spectroscopic modeling,we calculate the isotope-edited equilibrium FTIR and 2DIR spectra of the two beta-hairpin peptides trpzip2 and trpzip4 using the nonlinear exciton propa

【作 者】

：

Tianmin Wu 

【机 构】

：

Department of Chemical Physics,University of Science and Technology of China,Hefei 230026,China

【出 处】

：

The 15th ICQC International Congress of Quantum Chemistry(第1

【发表日期】

：

2015年5期

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Based on the theoretical spectroscopic modeling,we calculate the isotope-edited equilibrium FTIR and 2DIR spectra of the two beta-hairpin peptides trpzip2 and trpzip4 using the nonlinear exciton propagation(NEP) method,at a series of temperatures.

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