Computational insights into the corrosion inhibition mechanism of hyoscyamine and zonisamide on mild steel: A combined DFT, MD, and NCI analysis. - Anadebe VC; Awere CO; Thakur A; Katin KP; Berdimurodov E; Boublia A; Alanazi AK; Egbosiuba TC; Benguerba Y; Ebenso EE (Journal of molecular graphics & modelling, 2026)