Predicting the Strength of Stacking Interactions between Heterocycles and Aromatic Amino Acid Side Chains.
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DOI: 10.1021/jacs.9b00936
Abstract: Despite the ubiquity of stacking interactions between heterocycles and aromatic amino acids in biological systems, our ability to predict their strength, even qualitatively, is limited. On the basis of rigorous ab initio data, we developed… read more here.
Keywords: strength; amino acid; stacking interactions; interactions heterocycles ... See more keywords