Predicting repurposed drugs targeting the NS3 protease of dengue virus using machine learning-based QSAR, molecular docking, and molecular dynamics simulations

Predicting repurposed drugs targeting the NS3 protease of dengue virus using machine learning-based QSAR, molecular docking, and molecular dynamics simulations

Dengue fever, prevalent in Southeast Asian countries, currently lacks effective pharmaceutical interventions for virus replication control. This study employs a strategy that combines machine learning (ML)-based quantitative-structure-activity relationship (QSAR), molecular docking, and molecular dy...

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Bibliographic Details
Main Authors: Chongjun, Y., Nasr, A.M.S., Latif, M.A.M., Rahman, M.B.A., Marlisah, E., Tejo, B.A.
Format: Article
Published: Taylor and Francis 2024
Online Access:http://psasir.upm.edu.my/id/eprint/116181/

Internet

http://psasir.upm.edu.my/id/eprint/116181/

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