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nature.com
360 words

Computational and experimental screening identifies 6-chloro-2-hydroxy-1-naphthaldehyde derivatives as disruptors of the HEG1–KRIT1 protein–protein interaction

To determine whether each compound was energetically associated with disruption or stabilization of the HEG1–KRIT1 complex, the protein–protein binding energy in the ligand-bound state was compared with that of the corresponding ligand-free reference system. The ligand-induced change in interfacial binding…

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