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, †,}

Temperature-dependent ellipticities of the isotope-shifted peaksυ_isoin the 2DIR spectra of different isotopologs.