In Edinburgh for the RSC/SCI Symposium on Kinase Inhibitor Design—excited to see @jessbwhite.bsky.social share her work on the missense kinase toolkit! #Kinase2025

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Grateful for the opportunity to present my work to such an engaged audience! Find out more here: bit.ly/4kcOQnX #Kinase2025

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This work is now published in J Phys Chem B! Check out our work showing that simulations predict the impact of distal mutations on kinase-inhibitor binding, and our experimental NanoBRET dataset of 94 kinase mutations that provide a benchmark for future methods. Link: pubs.acs.org/doi/full/10....

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In a new Practical Cheminformatics post titled "Even More Thoughts on ML Method Comparisons," I share several plots that I find valuable for comparing machine learning methods. practicalcheminformatics.blogspot.com/2025/03/even...

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Everything is chaos, but I wanted to share some awesome recent science from the lab that hints at where the future of biomolecular simulation is headed: Foundation simulation models that can be fine-tuned to experimental free energy data to produce systematically more accurate predictions.

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