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Cation–π interactions in protein–ligand binding: theory and data-mining reveal different roles for lysine and arginine

We have studied the cation–π interactions of neutral aromatic ligands with the cationic amino acid residues arginine, histidine and lysine using ab initio calculations, symmetry adapted perturbation theory (SAPT), and a systematic meta-analysis of all available Protein Data Bank (PDB) X-ray structur...

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Detalles Bibliográficos
Autores principales:	Kumar, Kiran, Woo, Shin M., Siu, Thomas, Cortopassi, Wilian A., Duarte, Fernanda, Paton, Robert S.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Royal Society of Chemistry 2018
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5903419/ https://www.ncbi.nlm.nih.gov/pubmed/29719674 http://dx.doi.org/10.1039/c7sc04905f

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