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Computational Studies of SARS-CoV-2: Application of Computational Chemistry and A.I. Algorithms for Pandemic Response

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Description

The rapid outbreak of the novel severe acute respiratory syndrome 2 (SARS-CoV-2) has reached pandemic level and poses a serious global public health concern. Since the initial outbreak in China, at XtalPi we have utilized our ID4 computational platform, which combines state-of-the-art computational chemistry and A.I. algorithms, to perform homology modeling, virtual screening, and free energy perturbation studies to understand both the mechanism of infection, but also to identify drugs that can be repurposed for viral inhibition. This talk will provide an overview of our work in this area and demonstrate how we can leverage our cloud-based computational platform for rapid response to public health concerns.

Contributors

  • Mike Bellucci, Ph.D.

    Senior Director of Solid Form Design at XtalPi Inc.