Validated ligand geometries for macromolecular refinement restraints and molecular-mechanics force fields.

Acta Crystallogr D Struct Biol · 2026 · PMC12954859 · PMID 41705502

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hedged sentence

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closest p

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boldest claim

The sentences

a clear trendno p-value reported

Clearly, the geometries are sensitive to the protonation state, but there does not appear to be a clear trend.

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