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- Wilcox, Kieaibi
E.; Blanch, Ewan W.; Doig, Andrew J.
- Biochemistry 2016 v.55 no.27 pp. 3794-3802
- Fourier transform infrared spectroscopy; artificial intelligence; circular dichroism spectroscopy; deuterium oxide; least squares; multivariate analysis; prediction; protein secondary structure; proteins
- ... Infrared (IR) spectra contain substantial information about protein structure. This has previously most often been exploited by using known band assignments. Here, we convert spectral intensities in bins within Amide I and II regions to vectors and apply machine learning methods to determine protein secondary structure. Partial least squares was performed on spectra of 90 proteins in H₂O. After pr ...
- Krishna Deepak, R. N.
V.; Sankararamakrishnan, Ramasubbu
- Biochemistry 2016 v.55 no.27 pp. 3774-3783
- catalytic activity; data collection; histidine; hydrogen bonding; nitrogen; proteins
- ... The amino acid histidine can play a significant role in the structure and function of proteins. Its various functions include enzyme catalysis, metal binding activity, and involvement in cation−π, π–π, salt-bridge, and other types of noncovalent interactions. Although histidine’s imidazole nitrogens (Nδ and Nε) are known to participate in hydrogen bond (HB) interactions as an acceptor or a donor, ...