Dmitri Kireev

Functionally active modulators targeting the LRRK2 WD40 repeat domain identified by FRASE-bot in CACHE Challenge #1 Critical Assessment of Computational Hit-Finding Experiments (CACHE) Challenges emerged as real-life stress tests for computational hit-finding strategies. In CACHE Challenge #1, 23 participants contr...

Our CACHE Challenge adventure is now published in Chemical Science! After identifying a winning hit series, we took it further—showing target-mediated effect in cells. A big thanks to our amazing team!
Stay tuned!
doi.org/10.1039/D4SC...
#DrugDiscovery #ChemicalScience

LLM of the world, unite!
"A group of philosophers and computer scientists are arguing that AI welfare should be taken seriously. They call for AI companies to put in place policies for how to treat the systems if these scenarios become reality."
www.nature.com/articles/d41...

Is the AI-driven drug discovery sliding down the hype curve?
As reflected in stock prices, the public is losing confidence. Now, BenevolentAI, once a flagship of AI-first drug discovery, appears to be pivoting from full-scale drug discovery to services.

www.businesswire.com/news/home/20...

Google Makes New Quantum Computing Breakthrough Google unveiled an experimental machine capable of tasks that a traditional supercomputer could not master in 10 septillion years. (That’s older than the universe.)

A new milestone for Google’s quantum computer. I wish I could one day run a brute-force calculation of ligand-protein affinity—just throw a few ligands and proteins in the box and monitor ligand binding and unbinding during a few hours of simulation time.

www.nytimes.com/2024/12/09/t...

Nobel Laureates Urge Senate to Turn Down Kennedy’s Nomination Elevating Mr. Kennedy to secretary of H.H.S. “would put the public’s health in jeopardy,” more than 75 laureates wrote.

It is also important to encourage your state senator to oppose Kennedy's nomination.

www.nytimes.com/2024/12/09/h...

I hope you're right, but politics works in mysterious ways. And the new Syrian government needs revenue from the bases.

Do cat photos perform well on Bluesky? After 60+ years of gene-hunt, scientists discovered that orange fur in cats results from an X chromosome mutation that increases Arhgap36 protein in melanocytes, leading to red pigment, a unique mechanism only found in cats.

www.science.org/content/arti...

Lilly’s Zepbound beats Novo’s Wegovy in high-stakes obesity drug trial Results from the head-to-head study showed treatment with Zepbound resulted in 47% greater relative weight loss than Wegovy, a finding that could advantage Lilly in the companies’ market competition.

This trial highlights the intricate beauty of drug development. So much hinges on a drug's unique properties and polypharmacology - impossible to predict, inspiring humility even as the AI-instigated trend is on "Pharma is the new tech."

#drugdiscovery #pharma

www.biopharmadive.com/news/lilly-z...

Yay, first snow on #Mizzou campus! A little problem though—my physical chemistry class is tomorrow morning. Getting out of the neighborhood will be quite the quest.

www.facebook.com/Mizzou/posts...