A continuous SAR is characterized by a smooth activity hypersurface, where a clear trend in biological activity could be observed upon systematic chemical changes, while a discontinuous SAR, in contrast, is described by a rugged landscape where minor structural modifications lead to drastic potency differences.
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Rigorous sampling of docking poses unveils binding hypothesis for the halogenated ligands of L-type Amino acid Transporter 1 (LAT1).
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