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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

Author

Yi Zhou

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Jul 2026

Identification of potential inhibitors of dengue virus ns5 methyltransferase and polymerase domains through virtual screening and molecular dynamics studies

Molecular dynamics simulations showed that the S-adenosylmethionine (SAM)-binding site ligand formed a more stable complex with lower root-mean-square deviation (RMSD) and reduced flexibility, indicating a promising lead candidate for further optimization and experimental validation against dengue virus NS5.

Nabeel Haider, Abolfazl Zare, Yi Zhou et al. · 0 citations