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They are NRT1 (NPF), NRT2, and NAR1 (Crawford and Glass, 1998
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These findings can be explained by the fact that, under physiological conditions, water molecules present in the active site are frequently displaced when a ligand binds.32 As a result, including them in docking protocols can be unnecessaryโor even misleadingโby exaggerating specific interactions and inflating binding scores that do not truly reflect ligand behavior
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