Computers in biology and medicineMolecular Dynamics SimulationAntiviral AgentsDrug RepositioningDNA-Directed DNA PolymeraseMonkeypox virus
AI-driven transfer learning and classical molecular dynamics for strategic therapeutic repurposing and rational design of antiviral peptides targeting monkeypox virus DNA polymerase.
Leona Dcunha, Sonet Daniel Thomas, Levin John, Amritha Thaikkad, Dileep Francis, Rajesh Raju, Nik Hirani, Abhithaj Jayanandan
Published: 202610.1016/j.compbiomed.2025.111372
Abstract
The emergence of monkeypox virus (MPXV) as a global health threat has necessitated the rapid identification of novel antiviral therapeutics. Currently, no FDA-approved drugs are specifically designed against the disease. We used an in-house deep lear…
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