Jack Greisman

Studies how proteins wiggle with computers and X-rays

[Jack Greisman @JackGreisman]

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! https://t.co/HjMo4I4PqZ

[Jack Greisman @JackGreisman]

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!

[Jack Greisman @JackGreisman]

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. 🧵

[Jack Greisman @JackGreisman]

Paper (open access): https://t.co/6ODqimr97I
Discourse: https://t.co/18UFTmDnNj
careless GitHub: https://t.co/brra5iNQWt
rs-station webpage: https://t.co/NMfJwBm5W2

[Ellen Zhong @ZhongingAlong]

🎉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!

[D. E. Shaw Research @DEShawResearch]

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!

[Patrick Walters @wpwalters]

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".

https://t.co/8WzcGYlQAQ

[bioRxiv Biophysics @biorxiv_biophys]

Sensitive Detection of Structural Differences using a Statistical Framework for Comparative Crystallography https://t.co/1haBEYfcEw #biorxiv_biophys

[MCB_Harvard @MCB_Harvard]

How a "Spot the Difference" Technique Illuminates the Wiggling of Proteins @HekstraLab @doeke_hekstra @JackGreisman @brooks_den29 @mklureza @Harvard @HarvardGSAS @PNASNews @UChicago https://t.co/EezmkoHfaI

[D. E. Shaw Research @DEShawResearch]

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. https://t.co/PZsZsNhOM0

[D. E. Shaw Research @DEShawResearch]

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. https://t.co/obB1ErWJG9

[Christine Yiwen Yeh | 葉以文 @christineyyeh]

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. https://t.co/I7mfn5JttJ

[Rachelle Gaudet @RachelleGaudet]

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! https://t.co/LBle8QN43Q

[Jack Greisman @JackGreisman]

For more details, please check out the @HekstraLab tweet summary and the pre-print: https://t.co/Zny0V8IcRP

[Hekstra Lab @HekstraLab]

How do enzyme dynamics relate to the chemical steps of catalysis? Using DHFR as an example, we address this question with a series of crystallographic perturbation experiments.

Solvent access is critical; the DHFR active site has two distinct substates. How does that work?
👇🧵

[Jack Greisman @JackGreisman]

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. 🧵

https://t.co/6w6LmImXDP

[Jack Greisman @JackGreisman]

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