Living systems operate out of equilibrium to enable rich, complex behaviors. To quantify how far from equilibrium a system is, a study proposes a simple method that tracks and categorizes individual molecules’ displacements. Read more: https://go.aps.org/4hWqD7Q

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Now on Arxiv: arxiv.org/abs/2608.10029 Led by grad student Matthew Giammar and collaborator Alex Strang, we provide a fast algorithm to calculate a low rank approximation to large (>100 million row) matrices with high fidelity that will accelerate template matching.

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📣 ❗2nd Preprint of the Summer ❗ 📣 "Kinase inhibitors can change protonation or tautomeric state upon binding." LInk: doi.org/10.64898/202... We find that kinase-inhibitors can change in net-charge and tautomer state upon binding (from solution-state to kinase-bound), affecting med-chem choices!

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📢 New publication. We answered an old question in structural biology: (how) does the crystal lattice impact proteins? In particular, how does the crystal restrict the protein's dynamics? We used local probes of dynamics: the rotation of aromatic rings. 🧵 www.nature.com/articles/s41...

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Aromatic ring flips reveal reshaping of protein dynamics in crystals and complexes #chemsky

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