Abstract:The covalent and noncovalent backbone binding interactions in RNA-peptide complexes were studied by DFT methods. Four RNA structures R1(GGCUAGCC), R2(AAUCGAUU), R3(GGGAUCCC), and R4(AAAGCUUU) has been selected for eight protonated peptides (DR, ER, GR, KR, NGR, RR, tmeGnd (tme), and VR) interactions based on an experimental study (Anal Chem. 2019; 91:1659-1664. Chemical reactivity theory is used to study the reactivity of eight peptides with global descriptors.Lower hardness values reflected low stability and … Show more
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