In silico exploration of PD-L1 binding compounds: Structure-based virtual screening, molecular docking, and MD simulation

Programmed death-ligand 1 (PD-L1), a transmembrane protein, is associated with the regulation of immune system. It frequently has overexpression in various cancers, allowing tumor cells to avoid immune detection. PD-L1 inhibition has risen as a potential strategy in the field of therapeutic immunolo...

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