Unveiling Hidden Intramolecular Non-Covalent Interactions in a Neutral Serine, Its Zwitterion, Cluster, and Crystal by Features of Electron Density.

J Comput Chem · 2025 · PMC12207953 · PMID 40586614

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closest p

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a clear trendno p-value reported

While E int values show a clear trend, being most negative for completed interactions and less negative for latent ones, this trend is primarily governed by the Coulombic component ( E cl ), which contributes over 90% of the total interaction energy.

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