How deeply should we analyze non-covalent interactions?

Clark T (2023)

Publication Type: Journal article

Publication year: 2023

Journal

Journal of Molecular Modeling Springer Verlag (Germany)

Book Volume: 29

Article Number: 66

Journal Issue: 3

DOI: 10.1007/s00894-023-05460-4

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.

Authors with CRIS profile

Timothy Clark Computer-Chemie-Centrum

How to cite

APA:

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

MLA:

Clark, Timothy. "How deeply should we analyze non-covalent interactions?" Journal of Molecular Modeling 29.3 (2023).

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