Diffusion models treat every part of an image equally. → Same number of steps. Same compute. But images aren’t uniform. 🤔 Some regions are easy, others are hard. So why force the model to treat them the same? 🧵
Alex Dickson
@dicksonlab.bsky.social
Developing new methods for molecular simulation. Likes: Data vis; ML; drug discovery; semicolons.
Excited to share this paper from @yiechanglin.bsky.social showing how lipids can move between bacterial membranes along the bridge like protein TamB. Also happy to be able to post the cool movie. 🎥🌟 #MDsimulations #StructuralBiology doi.org/10.1016/j.bp...
"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/
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/
"Shake what your mama gave you!" "My mitochondrial DNA?" "..." "..."
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.
Roland Dunbrack 🏳️🌈@rolanddunbrack.bsky.social · 7mo agoThe Cancer Signaling & Microenvironment Program at Fox Chase Cancer Center is looking for tenure track faculty (assist./assoc./full) in computational & experimental protein design. CV & 3-page research statement by Feb 15. More info here: www.linkedin.com/feed/update/... Questions: DM/Email me.
Wow this piece is amazing! It would be even more entertaining if the future of the NIH wasn't hanging in the balance..
On the Media@onthemedia.bsky.social · 9mo agoIn the second episode of The Harvard Plan (Season 2), it gets personal. Two men who go way back find themselves at the heart of Harvard’s battle against the Trump admin -- but on opposite sides. Take a listen: https://lnk.to/onthemedia/bluesky
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.
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.
fastcompany.com
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.
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 👿
🚨 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...
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...
forms.gle
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
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...
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...
jobs.merck.com
This band has a bright future I can sense it youtu.be/CJ54eImz88w?...
Talking Heads - Psycho Killer (Official Video)
YouTube video by Talking Heads
youtu.be
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.
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!
I asked my kids to sing the Canadian national anthem, and they started off to the tune of "O Christmas Tree" 😬
The latest work from Dickson Lab (@dicksonlab.bsky.social) in collaboration with Pioszak Lab is out! Check it out for novel insights into the characterization of the two-domain binding mechanism of CGRP and a high-affinity variant ssCGRP to the CGRP receptor: doi.org/10.1021/acs.... #compchem
Characterization of the Two-Domain Peptide Binding Mechanism of the Human CGRP Receptor for CGRP and the Ultrahigh Affinity ssCGRP Variant
Calcitonin gene-related peptide (CGRP) is a 37-amino acid neuropeptide that functions in pain signaling and neuroimmune communication. The CGRP receptor, CGRPR, is a class B GPCR that is a drug target...
doi.org
Had a really great time presenting our Flexible Topology work to the folks at Qubit! @qubit-pharma.bsky.social vimeo.com/992123602
Flexible Topology pocket explorer
A group of ghost particles explore the binding pocket of the beta-2 adrenergic receptor, revealing key features that can be used for virtual screening. Flexible…
vimeo.com
I have confirmation from several sources now that all T32s, many F30s and F31s, and most or all Center awards (P30, P50) have been terminated at Columbia. This is quite damaging to research and to individuals. This is pure terrorism and cannot be legal. But litigation will take time...
I finally did it! 10k unread emails! Wow. What can I say?.. I couldn't have done this alone. It's been a long road. There's so many people I'd like to thank...
