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Molecular dynamics-driven optimization of triterpenoid, amidinium, and flavonoid inhibitors targeting dengue NS2B-NS3 protease

Author:

Farkad Bantun,Navaneet Chaturvedi,Naif A. Jalal,Hani Faidah,Ahmad O. Babalghith,Abdullah F. Aldairi,Shafiul Haque,Vijay Kumar

Publication:

Computational Biology and Chemistry

Publisher:

Elsevier

Date:

August 2026

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