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Updated: Jun 9, 2026
A Method for Screening and Validation of Resistant Mutations Against Kinase Inhibitors
Published on: December 7, 2014
Quantum-computing-enhanced algorithm unveils potential KRAS inhibitors
Mohammad Ghazi Vakili1,2, Christoph Gorgulla3,4, Jamie Snider5
1Department of Computer Science, University of Toronto, Toronto, Ontario, Canada.
None:
We introduce a quantum-classical generative model for small-molecule design, specifically targeting KRAS inhibitors for cancer therapy. We apply the method to design, select and synthesize 15 proposed molecules that could notably engage with KRAS for cancer therapy, with two holding promise for future development as inhibitors. This work showcases the potential of quantum computing to generate experimentally validated hits that compare favorably against classical models.
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