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Fig. 6 | BMC Chemistry

Fig. 6

From: Leveraging structural and 2D-QSAR to investigate the role of functional group substitutions, conserved surface residues and desolvation in triggering the small molecule-induced dimerization of hPD-L1

Fig. 6

Calculated binding energies of the PD-L1 protein in different protein–protein or protein–ligand complexes. The most stable complex of PD-L1 was found to be its complex with the PD-L1 small molecule complex (d), followed by its complex with PD-1 (a). The panel (e) represents the estimated binding affinities for each complex using MM-GBSA

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BMC Chemistry

ISSN: 2661-801X

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