Article

Mechanistic insights into CAM-induced disruption of HBV capsids revealed by all-atom MD simulations

2025-09-27

Abstract excerpt

Capsid assembly modulators (CAMs) represent a promising antiviral strategy against hepatitis B virus (HBV), but their effects on preformed capsids remain incompletely understood. Here, all-atom molecular dynamics (MD) simulations of intact HBV capsids complexed with prototypical CAM-As (HAP1, HAP18) and CAM-Es (AT130), reveal how structural changes induced by small molecule binding in the interdimer interfaces pro...

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Literature Corpus work: 4409f6d6-85d1-5c89-b3f4-249b32c7454a
DOI: 10.1101/2025.09.24.678444

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