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

Well the NIH has cancelled the Women's Health Initiative, the largest study of women in history It has been running continuously since 1991 and has provided massive key knowledge about diseases in women Unreal www.science.org/content/arti...

Register Now for Crash Course: Python For Cheminformatics-Driven Molecular Docking This free virtual course will demonstrate the power and flexibility of python on May 1, 2025 pdb101.rcsb.org/news...

@fionachembot.bsky.social opened up linkedin to this, and honestly, i can't help but immediately see a mucin rendering next to this depressing news headline... 😂

People/organizations with means and a vision for the future of biomedical science - we need an “Arc Institute” equivalent in the DMV area to sponge up all the incredible talent, opportunity of a lifetime for a visionary entrepreneur, I will help! @mcuban.bsky.social

Read: OpenAI raised $40B—i.e., the entire NIH budget.

If you love drug candidates but weren't able to attend the #FirstTimeDisclosures symposium at #ACSSpring2025, check out my story about the session for @cenmag.bsky.social - with lots of cool-looking molecules. cen.acs.org/acs-news/acs...

🚨 PLEASE RT 🚨 Are you a comp chem trainee attending Spring ACS in San Diego? Would you like to expand your network with mentors in industry & academia at the COMP Mentor Lunch? Fill out this form if you are interested in attending! forms.gle/Sq79TJihHnFW...

From 2010 to 2016 (latest data I have ), NIH research contributed to EVERY drug approved by the FDA

Unassigned nitrogens in nmr data often indicate biologically relevant motion in proteins, and this can be used train deep learning models of protein dynamics! Hannah Wayment-Steele @ginaelnesr.bsky.social @sokrypton.org www.biorxiv.org/content/10.1...

This was a massive team effort and I'm forever grateful for the full list of authors helping me to drive this one into the endzone! Thank you to Anthony Bogetti, Carla Calvó-Tussell, @mackevinbraza.bsky.social, @lcasalino88.bsky.social, Amanda Gramm, Sean Braet, @miarosenfeld.bsky.social,... (1/2)

thrilled I got to plan this year's ACS COMP social in my science home town 🌊♥️💻🧪 hope to see y'all there!!!

This stupid SOB is practically rooting for the measles virus. He will apparently do almost anything to avoid vaccination:

reality of ML+bio research: real methodological innovation is rare, expert application is common. & that's okay! most progress comes from skillfully using existing tools. lets be honest abt contributions & stop repackaging established methods with domain expertise as "novel computational frameworks"

What's easier to learn: cryo-EM or MD simulations? Ben Orlando and I couldn't decide, so we are accepting post-doc applications from both fields! Come work with us to explore the intersection between cryo-EM and MD at Michigan State! careers.msu.edu/jobs/researc...

Mentioned in the below article, Science is running a "Trump tracker" that's attempting to keep up with the ongoing firings at scientific agencies within the US: www.science.org/content/arti...

@biophysicalsoc.bsky.social you need to be sharing at the conference this week like our lives depend on it. Because they do. Speak up. Stand up. Get out there and protect out democracy

If anyone has the resources to resist, its HHMI. Ending this program with no notice and literally scrubbing evidence it ever existed from the website is shocking and dosappointing

i’m hiring! come work with our amazing neuralplexer development team at iambic therapeutics to help increase the conformational accuracy of our protein structure predictions! pls share with folks you think may be interested, & feel free to reach out with questions jobs.ashbyhq.com/iambic-thera...

An example of how the limited and biased availability of data narrows the range of functional biology PLMs tap into for prediction and design research.arcadiascience.com/pub/result-p...

move over ligand RMSD < 2 Å 😤 ConfBench is on the scene! if you're interested in the evaluation of conformational accuracy of structure prediction methods, take a look at our first stab at a systematic conformational benchmark in the NP3 technical report below! 🧵 www.iambic.ai/post/np3-tec...

Friends don't let friends make bad graphs repo has been updated! Friends don't let friends use boxplot for binomial (bimodal) data. Is your box plot hiding something from you? #DataVisualization github.com/cxli233/Frie...

Three BioML starter packs now! Pack 1: go.bsky.app/2VWBcCd Pack 2: go.bsky.app/Bw84Hmc Pack 3: go.bsky.app/NAKYUok DM if you want to be included (or nominate people who should be!)

Improving SOTA at the top CS conferences these days

SARS-CoV-2 NTD variants that escape host immunity possibly by introducing new epitope-blocking glycosylation sites #glycotime @cobarnes27.bsky.social

Two full starter packs for your bioml needs!

📣MEGA!📣MUCINS!📣

Hi #ChemSky! We’re here! 🤓 #compchem #compchemsky

@ my san diego comp chemists! december SAGIM event was announced! looking forward to connecting with fellow comp chemists and modelers over craft beers at new english brewery this december 5th - drop by between 4-7pm www.meetup.com/southern-cal...

Two BioML starter packs now: Pack 1: go.bsky.app/2VWBcCd Pack 2: go.bsky.app/Bw84Hmc DM if you want to be included (or nominate people who should be!)

This is a famous example of the late-80s wave of enthusiasm for computational drug design!

lovely catching up with my computational biophysics pal @martinvoegele.bsky.social for a couple beers in NYC!! up next… times square olive garden 😂 (for the meme, of course!)

Reposting for continuity... I believe we discovered a comprehensive mapping from protein structure to glycan structure, a genetic encoding for specific glycans, and a new paradigm in extracellular biology. www.biorxiv.org/content/10.1...

A starter pack on the molecular theoretical quantum world. #compchem #molphys #theochem 🧪 go.bsky.app/UGFPoE2

I tried to make a bioml starter pack. DM if you want me to add or remove you? go.bsky.app/2VWBcCd

This pack is now up to 67 people, broadly in AI and advanced data for science. Follow along, and forward me others who should be there! 🦋🦋 go.bsky.app/JeFdryY

MSAs go brrr with MMseqs2-GPU! Super fun project, happy to work with and learn from a stellar team of engineers and scientists. Try it out and stay tuned! 📄 Preprint: www.biorxiv.org/content/10.1... 💾 Code: mmseqs.com 🗞️ Blog: developer.nvidia.com/blog/boost-a...

hi #chemsky! i'm mia! i love mucins, physics-infused ML, proteins, & biophysics! currently a biophysicist-turned-ML-scientist @ iambic tx, developing & utilizing structure prediction algorithms in drug disco prev: phd w/ @rommieamaro.bsky.social, postdoc w/ bernie brooks & @jchodera.bsky.social 🤓

Follow leading researchers, practitioners, and thought leaders exploring the intersection of #AI, machine learning, data science, and scientific research. 🦋 ➕We are just getting started, please send me others who should be added go.bsky.app/JeFdryY #ML

go.bsky.app/Qc4frbt Made a starter pack for computational chemists, let me know who I missed please @jchodera.bsky.social @olexandr.bsky.social @jelfschem.bsky.social

Fiona Kearns is next with a fabulous journey in the world of the molecular bottlebrush world of mucins 🎊🔥 @miarosenfeld.bsky.social you are also there!!! 👏🏻👏🏻🎉 #glycotime #SfG2024