Reaserch programs

RP1 focuses on developing advanced deep learning tools to model protein dynamics and interactions associated with neurodegeneration. Key objectives include:

• Creating foundation models for protein dynamics and aggregation
• Simulating crucial proteins involved in neurodegenerative diseases (e.g., ABeta, apoE, and Tau)
• Identifying new molecular mechanisms and potential drug candidate

This program will utilize CLARA's hybrid supercomputing infrastructure to scale up molecular dynamics simulations and protein-ligand docking to unprecedented levels.

RP2 aims to bridge the gap between molecular processes and clinical outcomes by:

• Developing generative AI models that integrate diverse data types (molecular, imaging, clinical)
• Standardizing and preprocessing large-scale multimodal datasets
• Creating predictive models for disease progression across decades

These models will help identify mechanisms for new diagnostics and therapeutic interventions, as well as precision medicine tools for personalized patient care.

RP3 integrates the findings from RP1 and RP2 to create a comprehensive, multiscale knowledge platform. This program will:

• Develop computational and mathematical abstractions of complex brain processes
• Create a repository of elementary models encompassing various aspects of neuronal performance
• Integrate models to generate and test hypotheses about brain aging and disease progression

By leveraging CLARA's high-performance computing infrastructure, RP3 will enable exploration across multiple spatial and temporal levels of brain organization, providing crucial insights into the connections between biological factors and clinical symptoms.