How deeply should we analyze non-covalent interactions?

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Abstract

Context: Just how much effort and detail should we invest in analyzing interactions of the order of 5 kcal mol−1? This comment attempts to provide a conciliatory overview of what is often a contentious field and to pose some questions that I hope will eventually lead at least to some consensus. Methods: This is an opinion article without calculations or data.

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APA

Clark, T. (2023). How deeply should we analyze non-covalent interactions? Journal of Molecular Modeling, 29(3). https://doi.org/10.1007/s00894-023-05460-4

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