Journal of molecular modelingPolysaccharidesMolecular Dynamics SimulationMolecular Docking SimulationViral Nonstructural ProteinsDengue Virus
An investigation of fucoidan as a potential inhibitor against DENV/NS3 proteases through molecular dynamics simulations and DFT studies.
Swaminathan Ramalingam, Anuradha Venkatraman, Sankar Muthumanickam, Boomi Pandi, Syed Ali Mohamed Yacoob, Balajee Ramachandran, Yogananth Nagarajan
Published: 202510.1007/s00894-025-06527-0
Abstract
INTRODUCTION: Dengue virus (DENV) is a mosquito-borne disease that spreads in the tropics and subtropics mainly by the Aedes aegypti mosquito, infecting more than 100 million people every year and causing copious deaths every year. As of now, no dire…
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