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In the present study, we utilize molecular dynamics (MD) simulations combined with potential of mean force (PMF) calculations, which are both widely used in biomolecular simulations 14,15,16,17,18,19,20 , to investigate the molecular mechanism by which EGCG induces the aggregation of HMGB1
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However, despite the advantages of lipid-based nanodrug carriers, they still face challenges related to solubility, stability, and aggregation ( Polymer-based nanodrug carriers are another widely used carrier system, typically made from synthetic or natural polymer materials such as polylactic acid (PLA), polyethylene glycol (PEG), and poly (D,L-lactic-co-glycolic acid) (PLGA) (Ibrahim et al., 2022
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