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In this study, we examine eight ABC heterotrimers whose self‐assembly is directed through electrostatic interactions. Oppositely charged pairs of amino acids, with varying side chain length, were assessed for their ability to stabilize a triple helix. Aspartate‐lysine was found to result in the most thermally stable helix followed by lysine‐glutamate, ornithine‐aspartate, and finally ornithine‐glutamate...
The influence of α-substitution in the structure, bonding and thermochemical properties of trifluoromethyl-pyridinol derivatives and their protonated counterparts has been studied by means of density functional theory. The geometries of the neutral and protonated species were optimized at the B3-LYP/6-311G(d,p) level of theory. Final energies were obtained through single point B3-LYP/6-311+G(3df,2p)...
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