Core 1

Advancing Technologies for Atomic-to-subcellular Simulation and Discovery

Core 1 focuses on developing new software tools and simulation technologies that advance atomic-level investigations and forge new connections to subcellular levels of biological organization. Driven by a diverse portfolio of Driving Biomedical Projects, we are developing technologies that support simulation-based drug discovery across major disease areas. We aim to create useful, reusable workflows with broad application to emerging atomic-level and multi-scale modeling and simulation paradigms. The latter efforts will address emerging data-driven challenges in conjunction with Core 2, enabling seamless connections across diverse scales of biological organization (e.g., Core 3, the tissue-organ level) through development of new modeling paradigms.