Exciting news! We have a new website: omsf.io/alchemistry Your one-stop shop for everything related to our conference community. 🎉 BTW, registration is now open, so head over to secure your spot! We'll be sharing updates and details about the event. Bookmark it as there's plenty more to come!

Excited to announce our paper on small-molecule Unbinding Kinetics in the JCIM! We introduce an automated physics-based scheme to accurately predict absolute drug residence times (τ) - without any parameter tuning. A huge congratulations to the entire team! doi.org/10.1021/acs.jcim.5c01832

The moment you've been waiting for is here: Registration is NOW OPEN for The 2026 Alchemistry Workshop in Free Energy Methods for Drug Design! Where: UPF Campus Ciutadella When: May 4-6, 2026 🔗 Register Today: www.zeffy.com/en-US/ticket...

Florence Duomo looks very dramatic tonight.

Mark your calendars!

Mark your calendars!

Computational chemist action figure (imagen 3)

The schedule is up! I'm chairing the @schrodingerinc.bsky.social session!

Is there a different narrative?

Senator Cory Booker:

Today’s Daily Cartoon, by Becky Barnicoat. #NewYorkerCartoons www.newyorker.com/newsletter/h...

The Free Energy Workshop (feworkshop.bsky.social) will happen on May 6-8th. If you're an unemployed #CompChem modeller or researcher and want to attend to network but cannot afford the $215 registration fee, please DM me.

Just want to say again I’m grateful for the people doing their best to hold it down at the NIH despite the chaos and uncertainty. I see you 🙌🏾

Boston community, join me this Friday at noon outside the MA State House (downtown).

Volume --11, logic -- 0

Stand with UKRAINE! #standWithUkraine

Registration for the Free Energy Workshop is Now Open! www.zeffy.com/ticketing/re...

On the 3rd year anniversary of Russia invading Ukraine, repeat after me: "Russian warship, go f*ck yourself!" #SlavaUkraini

I’m George Takei and I approve of this message.

🌍 In the world of drug discovery, knowing a drug's residence time (τ) on its target can significantly impact its efficacy. Our new study presents innovative methods for predicting τ efficiently and accurately! 🧵🧵🧵

TechTrio

Just calculated the potential value of my @schrodingerinc.bsky.social stock. Turns out, if everything goes perfectly, I might be able to afford that Nvidia card... In 10 years. hntrbrk.com/schrodinger

Things are going to sh*t right now, so this seems appropriate.

Today’s Daily Cartoon, by Kaamran Hafeez. #NewYorkerCartoons nyer.cm/vQQkIwV

Chemical Formulas xkcd.com/3040

This Land Is Your Land by Woody Guthrie

PSA: If you're searching for #MS25 hashtag, you probably looking for #JPM25. (Also: The "Morgan" in J.P. Morgan and Morgan Stanley are not the same person, but they are related)

#ChemSky -- this is the event to attend! (Boston May 6-8)

By @anntelnaes.bsky.social

Today’s Daily Cartoon, by Lars Kenseth. #NewYorkerCartoons

RIP Martin Karplus 1930-2024 #chemsky

Today, several #NobelPrize Laureates arrive in Stockholm, warmly welcomed by Hans Ellegren. Here we see David Baker stepping off the plane at Arlanda. This week is packed with inspiration, press conferences and lectures, so stay tuned! 🌟 @uofwa.bsky.social @hhmi.bsky.social #Science #AcademicSky

Been a while since I read a paper like this: • "What [DiffDock] appears to be doing cannot be considered" docking • "Results are ... contaminated with near neighbors to test cases" • "Results for DiffDock were artifactual" • "Results for other methods were incorrectly done" arxiv.org/abs/2412.02889

Does anyone know of a nucleotide-ligand system with a fast off rate constant?

True. But hopefully not for too long.

The newly announced results of #CASP16 highlight remarkable progress in structural biology. VFold pipeline ranked first in RNA prediction. For multimers, Daisuke Kihara lab is #1, followed by Jianyi Yang’s server. Where is AF3? #10 in both categories. Moving fast predictioncenter.org/casp16/index...

Thanks for sharing, many other @schrodingerinc.bsky.social users may be interested...

Join us in May for Free Energy Workshop on Boston. We have a great speaker lineup! Bring your posters!

This Queen is strong, stable and unstoppable! labs.google/genchess

Since everyone else is doing it From scholargoggler.com

Seeking the ultimate protein-small molecule love story... Any research work where the protein was optimized to bind to a specific ligand?