Preprint update!!! How do mutations impact protein function? The answer is key to understanding evolving pathogens, predicting drug resistance, and designing custom proteins. www.biorxiv.org/content/10.1101/2024.09.20.614179v2

Using AI/ML for drug discovery? UM is hiring tenure track faculty at multiple ranks! please share and feel free to reach out if you have any questions. careers.umich.edu/job_detail/2...

Grateful I was invited to share our recent efforts searching through sequence, structure, and chemical space to predict and combat antiviral drug resistance at the last Antiviral Drug Discovery (AViDD) Open Science Forum before it went on hold:https://youtu.be/FCZ0lFBs5sQ?si=Y7SBdksMSKI9Yedd

Currently interviewing candidates for Lab Manager Position * expertise conducting high impact research with protein NMR spectroscopy required. * this should be demonstrated by multiple first author publications.

Today Mortaza Derakhshani, PhD will be presenting "Enzyme Engineering for Sustainable Nylon Recycling" at the ACS Great Lakes Regional Meeting!

PhD student in the lab, Daniel Santos Perez gave his first poster presentation today at the Midwest Theoretical Chemistry Conference! Titled "Weighted ensemble enhanced sampling for the elucidation of drug binding pathways"

AlphaFold is amazing but gives you static structures 🧊 In a fantastic teamwork, @mcagiada.bsky.social and @emilthomasen.bsky.social developed AF2χ to generate conformational ensembles representing side-chain dynamics using AF2 💃 Code: github.com/KULL-Centre/... Colab: github.com/matteo-cagia...

We have Easter eggs on the lab windowsill!!

#Compchem experts can do experiments to! Everyone is learning how to test their protein mutation predictions this week 🧪👩‍🔬

This is the moment we've worked toward for a long time: First public disclosure of the @asapdiscovery.bsky.social pan-coronavirus antiviral aiming to help keep humanity safe from future pandemic threats like MERS-CoV and other bat coronaviruses.

Many of the sessions I've been in at #ACSSpring2025 have had almost exclusively (white) male speakers 👀 Can folks please link some of your favorite speakers who could be invited to help balance this?

Hard to overhear some of these conversations of those who choose to be silent for fear of being targeted, when many of us dont have a choice of whether or not to be targeted.

I guess I have a color pallete

regarding Columbia University, I just learned about this (anonymous) account of negotiations of the Hitler regime in the 1930s with Frankfurt University -- Germany's most prestigious university at the time:

Headed to San Diego ☀️ for #ACSSpring2025

Resources for Federal Scientists from the Union of Concerned Scientists Here are resources to have on hand during the Trump administration. We will continue to update this page as more resources are developed. 🧪 www.ucs.org/resources/re...

Trump just directed the DOJ to attempt to disbar attorneys who take legal action against the executive branch while also indicating they will do the same to immigration attorneys. www.whitehouse.gov/presidential...

It was great to catch up with friends at APS: Pilar Cassio, @rocovino.bsky.social Jutta Rogal, Berend Smit, Tess Smidt and @terrasztain.bsky.social

You cannot negotiate with terrorists. If the Ivies give in to any regime demands, the goal posts will move. If the massive ivy endowments aren’t deployed to preserve institutional integrity and academic freedom, what on earth are they for?

Super excited to preprint our work on developing a Biomolecular Emulator (BioEmu): Scalable emulation of protein equilibrium ensembles with generative deep learning from @msftresearch.bsky.social ch AI for Science. www.biorxiv.org/content/10.1...

This breaks my heart. My salary at St. Jude was paid through our comprehensive cancer center grant. My wife's oncologist is at a comprehensive cancer center. Millions of children and adults with cancer get treatment in these 57 centers around the country. These are essential locations for research.🧪

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)

Excited and honored to be part of such an incredible lineup at the APS meeting next week!!

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.

Please wake up USA--we cannot just say "whoops" and hit the rewind button. These actions will lead to decades of irreversible devastation to our planet and future generations if they are not halted immediately. Enough is enough (3/3)

🚀 Exciting new poster from our lab at #BPS2025! 🧬 @Ahsan09966804 showcases how #MolecularDynamics & #AI can enhance #CryoEM map refinement. 📍 Catch it at Board 18 (1824-Pos) today, don’t miss out! #Biophysics #CompBio

We are hiring a Flatiron Research Fellow in the Structural Molecular Biophysics team! Experience with cryoEM and/or membrane protein simulations are a plus! Happy to chat in person with anyone at #bps2025 ! apply.interfolio.com/160227

Whenever you hear someone sneer about scientific research that seems useless to them — “they’re studying the spit of lizards?!” — remind them that’s exactly how we got Ozempic. globalnews.ca/news/9793403...

All this administration does is put every single nonprofit and institution into a trolley problem of either sacrificing trans people or hurting everyone else by eliminating federal funding. It won't end with us. They'll do this with every minority until it's only white men who are left.

🚨Academic scientist friends who are members-ideally leaders- of scientific professional societies, I need your help. 🚨 There is a sign-letter being prepared that will speak out against recent politicization of scientific funding and demonization of scientific researchers. 🧪🌎🦑

HHMI just cancelled our grant. We were in the second year of developing programs to retain students from all backgrounds in STEM. All that work, all that energy…..I am profoundly disappointed. Well-funded HHMI labs, what do you think of dismantling funding for these training programs?

I’ve unfortunately needed to add more material to my post from yesterday. The re-election of Donald Trump is looking like the biggest act of American self-destruction since the Civil War. Same link, new title and some updates.

Genotype D1.1 of H5N1 confirmed in Nevada cattle, which is the one circulating in birds and not B3.13, causing the wider cattle epizootic in the U.S. In other words, this is a second observed jump from birds into cows. Keep rolling the dice, shall we? www.feedstuffs.com/agribusiness...

🤞🙏

The RaMP program is still accepting applications till March 1, 2025. This one-year fellowship program is intended for students to gain research experience to succeed in PhD programs. Learn more here: rosettacommons.org/education/ra...

Random chemistry question 🧪: what is a small organic molecule that exhibits a well-documented conformational change in two different solvents?

Hey everyone, this is the new LGBTQ litigation bot we put together in partnership with Free Law Project. Follow it to stay up to date on legal developments with LGBTQ related cases and the Trump administration.

This is a 5 alarm fire. They're going to pull down all publicly available data, studies, guidance, etc that involves LGBTQ people so when the worst happens to us, no one will know. They're actively trying to erase us. gizmodo.com/cdc-ordered-...

The Internet Archive has to date downloaded 500 terabytes of US government websites, which it crawls at the end of every presidential term. The whole archive is fully searchable. This effort's housed by a donation-funded nonprofit, not a branch of the US government. blog.archive.org/2024/05/08/e...

‪World affairs have got me down ❤️‍🩹 I can do so little as an individual, but I know I'm not alone. Would love to hear what folks are doing to foster community and safe inclusive spaces within academia right now!! #AcademicChatter #AcademicSky #LGBTQStem #LGBTStem

This could be a good time to mention we are looking for a new Lab Manager / Postdoc for the biochemistry lab with expertise protein expression, purification, and protein NMR. Details to follow.

I made one 🦋