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Article

Parameterization of the PA Endonuclease Bimetallic Center Reveals the Dynamics of Clinically Relevant Mutations.

Journal of chemical theory and computation - 11 Aug 2026

Wang Luxuan, Li Pengfei, Sztain Terra

Abstract excerpt

Influenza A virus continues to impose a major global health and economic burden through seasonal epidemics and occasional pandemics, highlighting the critical need for continued antiviral development. As the latest addition to anti-influenza therapy, baloxavir marboxil (BXM) targets the highly conserved PA N-terminal endonuclease domain (PAN), blocking the cap-snatching process essential for viral transcription...

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PMID: 42503813
DOI: 10.1021/acs.jctc.6c01092
PMCID: PMC13485110

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