蛋白有的amide I II III 和A振动吸收光谱,AIM程序(https://doi.org/10.1021/acs.jctc.2c00113,https://github.com/Kimvana/AIM)针对Amide I 进行计算。
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Protein Spectrum Calculations. AI-based spectroscopy
circular dichroism (CD) spectra,
infrared (IR) spectra,
and ultraviolet (UV) absorption spectra
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