Yuan-Ci Li

Multiscale Computational Study of Interactions Between Novel Quinoline Derivatives and the Colchicine‐Binding Site of Tubulin

Tubulin is an important anticancer target, and its colchicine‑binding site has attracted considerable attention due to its ability to disrupt microtubule dynamics. In this study, an integrated computational strategy—combining molecular docking, density functional theory (DFT) calculations, and molecular dynamics (MD)...