Research group of Prof. Doeke Hekstra | Harvard Department of Molecular & Cellular Biology

Cambridge, MA
Joined January 2021
1/5 Ensembles are hot in structural biology! But here’s a question we don’t ask enough: What information survives measurement and processing? In our latest blog, @PilarCossio2 @EmilThomasen and @mhli41 have a think 🤔: rs-station.github.io/2026/08…
🤖 Made with AI
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Hekstra Lab retweeted
You shouldn’t have to have access to a GPU in-house to run ROCKET 💸 Phenix now hosts it on a server (free for academics rocket-9.gitbook.io/rocket-d…). Try phenix.rocket and reach out if you need help – this is brand new! 15/15
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Hekstra Lab retweeted
ROCKET 🚀 inference-time optimization of AlphaFold to fit structural data is published! rdcu.be/fa9YH Since our preprint, we’ve pushed it to regimes where other methods break: low resolution, weak signal, real experimental edge cases. Here’s what we learned: 1/15
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Excited to share my undergraduate work @biorxivpreprint w/ @HekstraLab and @mklureza: "Mapping protein conformational landscapes from crystallographic drug fragment screens." Check it out: doi.org/10.1101/2024.07.29.6…
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@SBGrid eLife paper has received a citation in April from @RachelleGaudet from @Harvard in @CellReports: Structural basis of ligand specificity and channel activation in an insect gustatory receptor. Read more here: buff.ly/3JUEJE8 #SBGrid #structuralbiology
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💎 New #keedylab Preprint💎 biorxiv.org/content/10.1101/… We stumbled upon the highest-res dataset for apo WT PTP1B (n=350 total PTP1B structures @buildmodels). The 2 protein chains have diff degrees of disorder - allowing a direct, controlled comparison of protein conformation(s).
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Tomorrow, 5/9 at 12pm EDT, please join us for a presentation on Careless from Kevin Dalton, PhD, @HekstraLab @Harvard. Webinar & registration details: buff.ly/36OEPwR
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Newly available through SBGrid is software Careless from @HekstraLab @Harvard, which performs scaling, merging, & French-Wilson corrections in a single step by directly inferring structure factor amplitudes from unscaled, unmerged intensities. Learn more: buff.ly/3XXr9VX
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A unifying Bayesian framework for merging X-ray diffraction data dlvr.it/SfPvRp #MachineLearning #NatureJournal #AI
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Excited to share our pre-print on prospectively predicting fragment binding poses with long MD simulations!
Our article "Discovery and validation of the binding poses of allosteric fragment hits to PTP1b: From molecular dynamics simulations to X-ray crystallography" has been released on bioRxiv. doi.org/10.1101/2022.11.14.5…
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Thinking of graduate school in the life sciences? Come learn about Harvard's PhD programs and how to apply! I'll be there, representing Biophysics!
We can't wait to meet you at our 2022 Virtual Open Houses (Thurs 10/13 and Tues 10/18, 5-7pm EST)! ✅Learn about our life sciences PhD programs ✅Connect w/ program representatives ✅Learn how you can strengthen your application Register here: forms.gle/vuaE4xWKCFVYw1nm6 Pls RT🧪🧬
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A successful end to the 57th Erice School co-directed with @goodwingroupox ! Also shown: Hans-Beat Buergi and the fantastic bio diffuse scattering crew 😊
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Hekstra Lab retweeted
Excited to share our latest work revealing a repressive methylation ceiling in EZH2-mutant lymphoma! We made this discovery by finding drug addiction mutations, a strategy we expect to be broadly useful for uncovering new biology across drug targets. (1/7) biorxiv.org/content/10.1101/…
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Open search in my department! academicpositions.harvard.ed…
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Looking forward to have @HekstraLab give the first colloquium of the semester in our department tomorrow:
The CPS Fall Colloquium Seminar Series kicks off this week!
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I reviewed the preprint on reciprocalspaceship, a python library for crytsallographic data. TL;DR looks very useful, will be doing some data deep dives with it soon! disq.us/p/2hbgb3h
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