BiophysicseLifePeer-reviewed
Discovery of a Heparan Sulfate Binding Domain in Monkeypox Virus H3 as an Anti-poxviral Drug Target Combining AI and MD Simulations
Bin Zheng, Meimei Duan, Yifen Huang…·Peng Zheng
The paper identifies a conserved heparan sulfate binding domain in MPXV H3 using AI and MD simulations, validates its role in viral adhesion, and demonstrates a protein inhibitor that disrupts this interaction, inhibiting infection in vitro and in vivo.
20 citations