Jack Greisman

If you want to learn more about what reviewer #1 aptly described as "avant-garde methods in X-ray crystallography," my phd research is now out in PNAS! doi.org/10.1073/pnas.2…

This work was done by the @HekstraLab and Dalton labs—check out their other work for more improvements to the crystallographic software stack and more examples of the cool questions that can be addressed with out-of-the-box diffraction experiments!

Paper (open access): science.org/doi/full/10.11… Discourse: discourse.rs-station.org careless GitHub: github.com/rs-station/car… rs-station webpage: rs-station.github.io

X-ray crystallography can be used to study how protein structures change in response to physical and chemical perturbations. We present a new method for comparative crystallography—comparing among diffraction datasets to detect structural changes. 🧵

🎉New preprint!🎉 Extremely excited to share CryoBoltz❄️⚡️, led by superstar @rishwanth_raghu! We develop a multiscale guidance recipe to steer structure prediction models (e.g. AlphaFold3 / Boltz-1) towards experimental cryo-EM density maps, including heterogeneous, low-resolution data! CryoBoltz ❄️⚡️bridges protein structure prediction and cryo-EM structure determination. We believe this opens up exciting directions for data-guided structure prediction and atomic modeling of dynamic molecules. Check out @rishwanth_raghu's thread below for more details! So fun to work with the dream team @rishwanth_raghu @axlevy0 and @GordonWetzstein on this paper. Finally, this work was made possible by the openly available Boltz-1 repo and the AlphaFold3 release. Excited to see the continuing developments with Boltz-2 and beyond!

We’ll be hosting a recruiting talk at Hotel Bel-Ami on March 12 at 18:00 in Salon Maupassant. Join us to learn about our current research, drug discovery, machine learning, and engineering projects as well as open positions. Food and drinks will be served!

I'm thrilled to announce a new preprint describing collaborative work with @prof_ajay_jain and Ann Cleves Jain, "Deep-Learning Based Docking Methods: Fair Comparisons to Conventional Docking Workflows". arxiv.org/abs/2412.02889

Sensitive Detection of Structural Differences using a Statistical Framework for Comparative Crystallography biorxiv.org/cgi/content/sh… #biorxiv_biophys

How a "Spot the Difference" Technique Illuminates the Wiggling of Proteins @HekstraLab @doeke_hekstra @JackGreisman @brooks_den29 @mklureza @Harvard @HarvardGSAS @PNASNews @UChicago mcb.harvard.edu/department/new…

The article “Discovery and clinical proof-of-concept of RLY-2608, a first-in-class mutant-selective allosteric PI3Ka inhibitor that decouples anti-tumor activity from hyperinsulinemia,” which we contributed to, has been published in Cancer Discovery. doi.org/10.1158/2159-8…

The article “Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors,” which we contributed to, has been published in the Journal of Medicinal Chemistry. pubs.acs.org/doi/10.1021/ac…

Our study from @DEShawResearch was published today! A Conserved Local Structural Motif Controls the Kinetics of PTP1B Catalysis | Journal of Chemical Information and Modeling. The following is my first ever tweetorial. Be kind. pubs.acs.org/doi/full/10.10…

Two Undergraduates Win Hoopes Prize for Research Conducted in the @HekstraLab. The summary of their thesis also provides a nice glimpse at the exciting work going on in Doeke Hekstra's lab! mcb.harvard.edu/department/new…

For more details, please check out the @HekstraLab tweet summary and the pre-print: twitter.com/HekstraLab/sta…

This was just one part of the paper (and not even the part where we zapped crystals with high voltages...)

I'm excited to share a pre-print from my PhD research in the @HekstraLab. We developed new xray diffraction experiments and analyses to figure out how an enzyme works, destroying many protein crystals in the process. 🧵 biorxiv.org/content/10.110…