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A Quantum Chemical Deep-Dive into the π-π Interactions of 3-Methylindole and Its Halogenated Derivatives—Towards an Improved Ligand Design and Tryptophan Stacking

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Published in 2022 at "Pharmaceuticals"

DOI: 10.3390/ph15080935

Abstract: Non-covalent π-π stacking interactions often play a key role in the stability of the secondary and tertiary structures of peptides and proteins, respectively, and can be a means of ensuring the binding of ligands within… read more here.

Keywords: chemical deep; deep dive; dive interactions; design ... See more keywords