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Full-Text Articles in Physical Sciences and Mathematics
Determining Anion-Quadrupole Interactions Among Protein, Dna, And Ligand Molecules, Jason B. Harris, David D. Jekins, Jonathan Reyles, Stephanie Rickett, Jordan M. Utley, Elizabeth E. Howell, Jerome Baudry, Robert J. Hinde
Determining Anion-Quadrupole Interactions Among Protein, Dna, And Ligand Molecules, Jason B. Harris, David D. Jekins, Jonathan Reyles, Stephanie Rickett, Jordan M. Utley, Elizabeth E. Howell, Jerome Baudry, Robert J. Hinde
Chemistry Publications and Other Works
Background
An extensive search through the Protein Databank (about 4500 nonredundant structures) was previously completed within our lab to analyze the energetic and geometric characteristics of an understudied molecular interaction known as an anion-quadrupole (AQ) interaction. Such an interaction occurs when the positively charged edge of an aromatic ring, resulting from a quadruple moment (i.e., a dual dipole moment), renders the aromatic molecule noncovalently bound to a nearby anionic molecule. The study considered a very limited scenario of molecules that can participate in AQ interactions, consisting of the phenyl group of a phenylalanine (phe) amino acid as the aromatic participant …