Structure-based drug repurposing reveals ponatinib and lapatinib as stable inhibitors of Aurora kinase B: Mechanistic insights from high-resolution molecular dynamics and free-energy analyses - researchr publication

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Gulam Mustafa Hasan, Ramesh Thiyagarajan, Taj Mohammad, Md. Imtaiyaz Hassan. Structure-based drug repurposing reveals ponatinib and lapatinib as stable inhibitors of Aurora kinase B: Mechanistic insights from high-resolution molecular dynamics and free-energy analyses. Computers & Chemistry, 123:109034, 2026. [doi]

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