"life is but a dream" is some really complex sentiment to tack willy-nilly onto a kid's song about boats

Our (@dicksonlab.bsky.social) latest work uses weighted ensemble simulations to reveal the molecular determinants behind the ~430-fold longer residence time of an engineered CGRP variant (ssCGRP) at the CLR:RAMP1 receptor.

Read the full paper: authors.elsevier.com/c/1moLg1SPTF...

Current conditions at ATL airport: everyone got here 4hrs early, zero people in line (pre check and normal TSA), and they hired a jazz guitarist to maintain the vibe during the 4 min wait 🎶 😎

Writing out a conversation I’ve been having a lot at this conference:

Things in US science are far, far worse than people know.

Far worse than even other scientists know.

1/

So sad to hear about Karl! He was tremendously impactful for me as well. I remember he would make these really subtle, dry jokes while lecturing, and then turn from the blackboard in slow motion with a huge grin on his face ❤️

"What is temperature at the microscopic level?" A person answers, "Molecular kinetic energy!" His irate, glowing-eyed boss then throws him out the window of a tall building.

I have found that many people don't know about configurational temperature, so I wrote a short note about it on my website.

www.samuelfoley.com/misc/

(clearly not replica swaps on closer inspection)

What is this sorcery? 🪄 Are atomic types changing or is that replica swaps?

"Shake what your mama gave you!"
"My mitochondrial DNA?"
"..."
"..."

a video game screen shows a bird flying in the air with the words hit and shot below it ALT: a video game screen shows a bird flying in the air with the words hit and shot below it

I feel the same way about Duck Hunt

Particularly of interest to people who want to do protein design in an academic environment w/ many colleagues in basic science (cancer biology, cell signaling, immunology, virology) & clinicians who can drive the discovery of new targets for hard-to-treat diseases & bring therapeutics to patients.

Really happy about how this paper turned out! Congrats on the great work Samik! 🎉

Wow this piece is amazing! It would be even more entertaining if the future of the NIH wasn't hanging in the balance..

Ronald Reagan narrates a new anti-tariff ad from Canada The new commercial is part of a $75 million ad campaign by Ontario aimed at Republican voters.

Holy shit.

Game 7 between the Jays and the Mariners just ran an pro-free trade ad, targeted to American workers, decrying tariffs.

The twist being that, if you don't catch it beforehand, Ronald Reagan is revealed as the speaker in the closing seconds.

What PAC is this? The Province of Ontario.

At only 29, his mark on the world was only just beginning. My thoughts are with his family, friends and those who knew him best. Through the modern magic of our screens, and the hundreds (thousands?) of hours Danya spent coaching, educating and inspiring, that feels like all of us.

Danya was a chess grandmaster, playing at the highest levels of the game, while also devoting countless hours to creating educational content on YouTube and Twitch. He reached millions with his videos and commentary and was truly an inspiration to me.

A while ago a colleague led us through an exercise where we brainstormed a network of mentors. These could be anyone in the world who influenced the way we teach, communicate, do research or service. I wrote Daniel Naroditsky in all caps. I was floored yesterday to learn of his passing.

The moment that brought Rogers Centre to its feet 🇨🇦 YouTube video by MLB

Just gonna leave this here.. youtube.com/shorts/rx3SZ...

Today I asked someone "what shape is your loss?" and I think that could really be a question for everybody

BatchNorm is evil. Pure Satan spawn sent to destroy us and our projects 👿

I was so proud that I found it 💔. Get it together nyt!

ACS Fall 2025 COMP Mentor Lunch Please fill out this form if you are a student that would like to come to the COMP Mentor Lunch on Tuesday August 19th at 12:30pm. You will hear back from us with confirmation of your attendance by en...

🚨 PLEASE RT 🚨

Are you a comp chem trainee attending Fall ACS in Washington DC? 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/dkozpTx3RyK8...

A watched model never trains

Hi network, I am looking for a job in London! Can anyone help me? 😊

The Klem Lab at LSU is hiring a postdoctoral researcher in computational biochemistry!
Application info: klem-research-group.github.io/join/
♻️ Please share with anyone who might be interested! #chemjobs #postdoc #compchem #biochemistry #enzymes

Toady Hawk Pro Karter

Associate Principal Scientist: Molecular Modeling, Analytical Research & Development job in Rahway, New Jersey, United States of America | jobs at Merck migration Apply for Associate Principal Scientist: Molecular Modeling, Analytical Research & Development job with Merck migration in Rahway, New Jersey, United States of America. Browse and apply for the jobs a...

Very excited to be recruiting for an Associate Principal Scientist: Molecular Modeling, Analytical Research & Develop. Our Digital Sciences team is seeing many requests related to influencing formulation design, especially for biologics. #chemjobs #compchem #chemsky jobs.merck.com/us/en/job/R3...

Talking Heads - Psycho Killer (Official Video) YouTube video by Talking Heads

This band has a bright future I can sense it youtu.be/CJ54eImz88w?...

Lyapunov instability of a system of WCA disks. Initially, the two systems (blue and red) differ only by 10^-12 in the x-velocities of two particles. The exponential divergence of the trajectories, probed by the configuration space distance, is shown on the right.

Flexible topology molecular dynamics uses a set of particles with dynamic charges and sizes to model many ligands in a binding pocket over the course of an MD simulation. This helps consistently model ligand-induced conformational changes in the binding pocket during screening. Individual frames from these simulations can be used as queries to perform virtual screening on databases such as ZINC or HMDB.

Our Flexible topology pocket explorer paper is up on ChemRxiv! doi.org/10.26434/che... We run simulations in the B2AR receptor and show that the Flexible Topology particles capture aspects of known B2AR ligands. We also show how FT frames can be used for screening to find new hits!