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Computer-aided visualisation has played an essential role in helping students construct a better understanding of molecular interactions over the years. However, students still need to translate 2D images on a screen into 3D molecular structures in their minds, and they often find it challenging to develop a clear mental picture of complex molecules. As an alternative platform for molecular visualisation, immersive virtual reality (VR) holds great promise for addressing students’ difficulties. To examine the educational possibilities and limitations of immersive VR environments, we adopted a design research approach. We developed a series of learning activities to teach students about an enzyme and its interactions with substrates and then conducted a user study in an immersive VR environment. Twenty-two first-year university chemistry students participated in the user study. Their VR sessions along with pre …