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Solvent patterns for ZINC01836093 in HER2 derived from triplicate 20 ns MD ensembles (3 × 1000 frames each) color-coded by population (S1 red > S2 orange > S3 yellow > S4 green > S5 blue). ZINC01836093 in cyan with Ser783, Thr798, and Thr862 in gray. Water coordination prediction site indicated by black arrow.
