The binding orientations of structurally-related ligands can differ; A cautionary note

Marc‐David Ruepp, Hao Wei, Michele Leuenberger, Martin Lochner, Andrew J. Thompson

Neuropharmacology · 2017 · 22 citations · 30 references

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Concepts

Abstract

receptor binding site. Our results show that even quite structurally similar molecules can adopt different orientations in the same binding site, and that caution may be needed when using homologous proteins to predict ligand binding.

References

30