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Molecular simulation methods were used to describe the spiral-structure of halloysite (7 A) loaded with irinotecan in Materials Studio modeling environment. Halloysite is a clay mineral commonly used as a drug delivery system for a variety of molecules due to its suitable characteristics and its morphology. Irinotecan is a semi-synthetic drug used in the treatment of colorectal cancer and exists in an active lactone form and an inactive hydroxyl-acid anion form[1]. In this work, the anionic form of the irinotecan ...