A Multiscale Simulation Framework for Elucidating Photochemical Structure-Activity Relationships of Photoswitchable Ligands in Complex Biomolecular Environments.

J Chem Inf Model · 2025 · PMC12690598 · PMID 41265861

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a clear trendno p-value reported

The effect of protein, however, does not exhibit a clear trend among the PSTs.

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