I'm honored to share that I've been selected as a 2026 PhRMA Foundation Predoctoral Fellow in Drug Discovery. This fellowship will support my research assessing how clinically relevant missense mutations impact kinase activity. Read more about our work here.

Achira is growing! We’re looking for talented software engineers, ML research engineers, and AI/ML scientists to join our team in building foundation simulation models to power the future of drug discovery. Apply at achira.ai

How many crystal structures do you need to trust your docking results? [new] Accurate drug docking needs crystal struct. Template docking via mol. similarity helps w/ ltd. data.

@jengreitz.bsky.social l & my lab want to co-hire a computational biologist/biostatistician with project management expertise to help map the regulatory code of the human genome and discover genetic mechanisms of disease. Details below careersearch.stanford.edu/jobs/computa... Plz RT

pls RT for reach! can’t wait to see y’all there 😁 @acs.org #CompChem

The steady deterioration of First Amendment rights and the conflation of violence with dissent is a result not just of an authoritarian regime but of a press culture that is feckless at best and authoritarian-fluffers at worst. The New York Times is beyond redemption.

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

This could be incredibly dangerous

Communicate your opposition to the cancelation of billions of dollars in pandemic preparedness grants to all of your elected representatives simultaneously here: resist.bot/petitions/PX...

In honor of #MarchMadness, let's talk about how all 8 men's teams playing in Providence this week are threatened by the Musk/Trump Admin. If you love college sports, you're going to have to stand up for colleges!!!!

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....

Francis Collins, the NIH Director for 12 years, led the Human Genome Project and other NIH efforts for 32 years, resigned today. Key words from his resignation letter www.nytimes.com/2025/03/01/u...

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.

🧵 on our preprint: Zhang & Skolnick's TM score for comparing model of protein to experimental structures of same protein. The d_j are essentially the same as the aligned error in Alphafold. After any structure alignment, it's the displacement of model Calpha from experimental Calpha of residue j.

Excited to be in LA for #BPS2025 @biophysicalsoc.bsky.social! I’ll be presenting a poster on our high-throughput fluorescence-based assay for kinase inhibitor binding in the West Exhibit Hall on Monday at 2:45 PM (board B60).

I'll be presenting my work prospectively studying clinical mutations and their impact on kinase inhibitor binding at #bps2025! Come see my talk on Wednesday morning @ 8:45am.

1. Today the NIH director issued a new directive slashing overhead rates to 15%. I want to provide some context on what that means and why it matters. grants.nih.gov/grants/guide...

#MLCB2025 will be Sept 10-11 at @nygenome.org in NYC! Paper deadline June 1st & in-person registration will open in May. Please sign up for our mailing list groups.google.com/g/mlcb/ for future announcements. More details at mlcb.github.io. Please RP!

🏁 The antiviral challenge is live! 🏁 Ready to test your skills on new data? Hosted in partnership with @asapdiscovery.bsky.social and @omsf.io, we've prepared detailed notebooks showcasing how to format your data and submit your solutions. 🧑‍💻

Happy to have been a member of the BATCHIE team who worked on this recent publication featured by @MSKLibrary: A Bayesian active learning platform for scalable combination drug screens dx.doi.org/10.1038/s414...

🦠 We’re excited to announce our first competition in partnership with @asapdiscovery.bsky.social and @omsf.io! Test your skills across three sub-challenges revolving around SARS-CoV-2 and MERS-CoV Mpro🧵 Full details: polarishub.io/competitions Blog: polarishub.io/blog/antivir...

Automated plate handling in the Chodera Lab, part of our effort to study kinase inhibitors in high throughput.

Thrilled to announce Boltz-1, the first open-source and commercially available model to achieve AlphaFold3-level accuracy on biomolecular structure prediction! An exciting collaboration with Jeremy, Saro, and an amazing team at MIT and Genesis Therapeutics. A thread!

Here’s another critical piece of info about Bhattacharya: Multiple judges in court cases over COVID mitigations where he’s been been used as an expert have called his expertise into question. www.importantcontext.news/p/judges-kee...

This article is totally insane; NPR should be ashamed. The headlines and lede give you no indication at all that RFK is a crank whose claims about vaccines are false and threaten public health. Would they write a story saying "Alex Jones wants to inform the public but he faces a lot of pushback"?