SILCS-Guided Feature Encoding Expands Ligand Recognition at an HBV Core Protein Interface

Hepatitis B virus (HBV) infection depends on coordinated capsid assembly and virion production. A hydrophobic pocket at the intradimer interface of the HBV core protein has been linked to secretion phenotypes and shown to bind small molecules, but its interaction landscape remains poorly defined. Here, we combine atomistic molecular dynamics (MD) simulations, fragment mapping, pharmacophore…

biorxiv.org ·1d ago

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