Computational Biophysics and Drug Design @Mizzou, @MizzouChem https://xitter.cf/t.co/ksw3Szd2wf…
Columbia, MO
Joined May 2011
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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/D4SC07532C
#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."
nature.com/articles/d41586-0…
Is the AI-first 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.
businesswire.com/news/home/2…
Do cat photos perform well on X? After 60+ years of gene-hunt, scientists found 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.
science.org/content/article/…
Oops! We did it again. Our team including Akhila Mettu and Xiaowen Wang is among top-scorers of Challenges 1 and 2. Most importantly, hit molecules discovered by all top-scoring team will greatly benefit #CitizenScience and, eventually, patients all over the world.
#CompChem #AI
🎉 Results of CACHE Challenge #2 are out! Five top-scoring teams from around the 🌍 used #AI, #CitizenScience, and #OpenSource tools to identify 7 promising hits that could lead to a pan-coronavirus treatment. Dataset is now publicly available to all! conscience.ca/news/cache-cha…
A team of @Mizzou, @MizzouChem researchers advances search for Parkinson’s Disease treatment with AI-powered software.
showme.missouri.edu/2024/miz…
#compchem
At (long) last, our paper on FRASE-based Hit-finding Robot (FRASE-bot) is out in Nature Communications. FRASE-bot helped us be among the winners of CACHE Challenge #1 and identify a few hits for Challenge #2.
rdcu.be/dMycB
#compchem
Dmitri Kireev retweeted
I am disappointed with mainstream US media, including the New York Times. The headlines are all about Biden’s debate performance. Yes, he’s old. Yes, it would’ve been great to have had a more inspiring younger candidate. Yes, he had a bad night, certainly compared to his State of the Union address. But that is not the main story. The main story is that Trump is a very serious threat to US democracy.
Dmitri Kireev retweeted
Dmitri Kireev combines a fragment based approach with GNN and deep protein interaction fingerprints in his successful discovery of LRKK2-WDR ligands.
Dmitri Kireev retweeted
February 4, 2024: Message to Fellow Americans and Congress in particular. Washington, DC @SpeakerJohnson @RepDanBishop @RepCawthorn @RepRalphNorman
Extremely proud to see my team among the top performers of CACHE Challenge #1! Great job, Marta Glavatskikh, @MettuAkhila, and @JacXiaowen!
We keep advancing our deep fragment-based approach toward an open, fully automated hit-finding pipeline.
#compchem
CACHE#1 results are in: bit.ly/48zjBhI. No prior ligand for the target. 1955 compounds predicted by 23 experts. 7 convincingly confirmed experimentally. This is the state-of-the-art. Exploration of modern AI techniques in 6 of the 7 top performing methods. #compchem
Faculty Fellowship Program in Israel’s 2023-2024 Winter application is now live online.
I was on this program last year. Recommend to everyone willing to learn about this amazing country, network with Israeli scientists, public figures, and more.
ff2israel.org
Snoop Dogg weighs in on the AI debate in a Hintonian though more nuanced way: "I'm like, are we in a f*cking movie right now, or what? The f*ck man? So do I need to invest in AI so I can have one with me? Or like, do y'all know? Sh*t, what the f*ck?"
arstechnica.com/information-…
Dmitri Kireev retweeted
Sign seen at the home base of the pilots who bombed Belgorod from @Candletart.
Dmitri Kireev retweeted
Open letter from Ukrainian 🇺🇦 Scientists calling for the isolation of scientists working in Russia until the war in Ukraine ends (see go.nature.com/3xmchi2 to read & sign letter). Thanks @Nature @gogotsi1
nature.com/articles/d41586-0… #StandWithUkraine #comchem #AcademicTwitter
Dmitri Kireev retweeted
To the world: what is the point of saying «never again» for 80 years, if the world stays silent when a bomb drops on the same site of Babyn Yar? At least 5 killed. History repeating…
Impressed! Durham, NC is #4 worldwide in venture-capital investment per capita.
theatlantic.com/technology/a…
