From Visualization to Discovery: A CURE Framework Integrating Virtual Reality Molecular Dynamics into General Chemistry

The integration of authentic research experiences into undergraduate chemistry curricula remains a persistent challenge, particularly at community colleges where resource constraints and diverse student populations demand innovative pedagogical approaches. This perspective article proposes and provides a detailed, adoptable framework for incorporating interactive molecular dynamics in virtual reality (iMD-VR) into a General Chemistry II laboratory course, transforming it into a course-based undergraduate research experience (CURE) focused on HTLV-1 protease inhibitor discovery. Drawing on established CURE principles and emerging technologies, this framework addresses three interconnected challenges: democratizing access to research experiences for underserved students, developing computational literacy as an essential 21st-century skill, and connecting chemistry education to real-world health problems. The model leverages freely available software (Narupa iMD-VR), Python-based data analysis tools, and collaborative learning structures to create an accessible yet rigorous research environment. We articulate explicit tiered learning outcomes spanning conceptual understanding, computational literacy, research process skills, and scientific communication, all grounded in General Chemistry II curriculum concepts. The framework integrates computational research with core topics including intermolecular forces, thermodynamics, kinetics, and equilibrium, ensuring authentic research enhances rather than replaces foundational chemistry learning. By situating computational research within a health equity context this framework exemplifies culturally responsive STEM pedagogy while contributing to ongoing drug discovery efforts. Comprehensive supplemental materials and implementation guides will be made publicly available to support adoption by other institutions.