The research group led by Régis Pomès, the largest user of Compute Canada resources, is improving the efficiency of molecular simulations. This work, which has led to multiple high-impact publications that have been presented internationally, has the potential to develop new treatments for neurodegenerative diseases (Alzheimer’s, Huntington’s) and a better understanding of vascular diseases. http://pomeslab.com/research/21
We examine the structure, function, and dynamics of proteins and other biomolecules by generating “cartoons” that mimic the way they move over time. The large-scale simulations performed in my laboratory are made possible by a generous allocation of dedicated computational resources from Compute Canada. Thanks to Compute Canada, we are in a unique position to address challenging biological questions. (…) Ultimately, these advances will lead to a better understanding of human susceptibility to highly prevalent vascular diseases such as hypertension, atherosclerosis and aneurysms, and will facilitate the development of useful materials such as artificial skin and vascular grafts, as well as new therapeutic approaches for the treatment of numerous pathological ailments including pain, epilepsy, bacterial infections and neurodegenerative diseases such as Alzheimer’s and Huntington’s diseases.