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Molecular visualization and structure-function discussions present a valuable lens for research, practice, and education in chemistry and biology. Currently, molecular structural data, visualization tools and resources are underutilized by students and faculty. A new community, Molecular CaseNet, is engaging undergraduate educators in chemistry and biology to collaboratively develop case studies for interdisciplinary learning on real world topics. Use of molecular case studies will help biologists focus on chemical (covalent and non-covalent) interactions underlying biological processes/cellular events and help chemists consider biological contexts of chemical reactions. Experiences in developing and using molecular case studies will help uncover current challenges in discussing biological/chemical phenomena at the atomic level. These insights can guide future development of necessary scaffolds for exploring molecular structures and linked bioinformatics resources.