Modeling the temperature-dependent peptide vibrational spectra based on implicit-solvent model and enhance sampling technique

Wu Tianmin¹, Wang Tianjun², Chen Xian², Fang Bin², Zhang Ruiting², Zhuang Wei^{2, †,}

(a1), (a2) Temperature-dependent intensities of the isotope-shifted peaksυ_isoin the linear absorption spectrum of different isotopologs. Both the curves of Mid-D and Turn-6 are shifted for better comparison. Temperature-dependent intensities of the isotope-shifted peaksυ_isoin the 2DIR spectra for Trpzip2 (b1) and Trpzip4 (b2). The curves of Mid-D and Turn-6 are shifted for better comparison.