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, †,}

Frequency-time correlation functions of the localized amide-I modes ((a), (c) M3 and (b), (d) M6) for Trpzip2 (top row) and Trpzip4 (bottom row) at 285 and 350 K, respectively.