Predicting the Strength of Stacking Interactions Between Heterocycles and Aromatic Amino Acid Side Chains

Andrea
N. Bootsma; Analise C. Doney; Steven Wheeler

doi:10.26434/chemrxiv.7628939.v1

Organic Chemistry

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Predicting the Strength of Stacking Interactions Between Heterocycles and Aromatic Amino Acid Side Chains

25 January 2019, Version 1

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Abstract

Development of both a quantitative predictive model of stacking interactions of heterocycles with Phe, Tyr, and Trp side chains and a conceptual model to understand and maximize these interactions in the context of design.

Keywords

pi-Stacking

Heterocyclic compounds

Supplementary materials

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Arene stacking SI 2019.01.24

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