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Alex Dickson

@dicksonlab.bsky.social
736 followers 351 following 59 posts

Developing new methods for molecular simulation. Likes: Data vis; ML; drug discovery; semicolons.

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Reposted by Alex Dickson
Ashley D'Souza @ashleydsouza.bsky.social · 24/09/2026
In my latest story for the Smithsonian, I was lucky enough to get to know the American paddlefish – a threatened fish that predates the dinosaurs and has incredible sensory capabilities thanks to its long snoot. s.si.edu/4y7NGS7
s.si.edu
Meet the Spatula-Nosed Fish Whose Anatomy Has Hardly Changed Since the Cretaceous
The National Museum of Natural History’s new exhibition “From These Lands” features an American paddlefish, the last surviving species of an ancient lineage of fishes that predates dinosaurs
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Well-tarred Flask 🇮🇹🇺🇦🇨🇦 @chemprofcramer.bsky.social · 28/08/2026
Now that #ACSFall2026 is over, I thought I'd share my talk on the history of the Computers in Chemistry Division (presented in a HIST/PRES symposium earlier this week). Maybe some nuggets of interest for #CompChem, #ChemSky, and #SciSky... 🧪 1/14
Cover title slide reading: Past, Present, and Phenomenal Future of the Computers in Chemistry Division with my name and meeting/session details
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Reposted by Alex Dickson
Johannes Schusterbauer @joh-schb.bsky.social · 26/05/2026
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? 🧵
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corrylab.bsky.social @corrylab.bsky.social · 27/05/2026
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...
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Alex Dickson @dicksonlab.bsky.social · 19/04/2026
"life is but a dream" is some really complex sentiment to tack willy-nilly onto a kid's song about boats
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Reposted by Alex Dickson
Ceren Kilinc @cerenkilinc.bsky.social · 08/04/2026
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...
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Alex Dickson @dicksonlab.bsky.social · 25/03/2026
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 🎶 😎
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Reposted by Alex Dickson
Mark Histed @markhisted.org · 16/03/2026
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/
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Sam Foley @samuelfoley.com · 06/03/2026
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/
"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.
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Alex Dickson @dicksonlab.bsky.social · 27/02/2026
"Shake what your mama gave you!" "My mitochondrial DNA?" "..." "..."
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Reposted by Alex Dickson
Roland Dunbrack 🏳️‍🌈 @rolanddunbrack.bsky.social · 19/01/2026
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.
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Alex Dickson @dicksonlab.bsky.social · 14/11/2025
Wow this piece is amazing! It would be even more entertaining if the future of the NIH wasn't hanging in the balance..
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Reposted by Alex Dickson
Carl T. Bergstrom @carlbergstrom.com · 21/10/2025
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.
fastcompany.com
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.
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Alex Dickson @dicksonlab.bsky.social · 21/10/2025
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.
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Alex Dickson @dicksonlab.bsky.social · 06/10/2025
Just gonna leave this here.. youtube.com/shorts/rx3SZ...
youtube.com
The moment that brought Rogers Centre to its feet 🇨🇦
YouTube video by MLB
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Alex Dickson @dicksonlab.bsky.social · 02/10/2025
Today I asked someone "what shape is your loss?" and I think that could really be a question for everybody
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Alex Dickson @dicksonlab.bsky.social · 24/09/2025
BatchNorm is evil. Pure Satan spawn sent to destroy us and our projects 👿
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Reposted by Alex Dickson
acscomp.bsky.social @acscomp.bsky.social · 17/08/2025
🚨 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...
forms.gle
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...
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Alex Dickson @dicksonlab.bsky.social · 01/08/2025
A watched model never trains
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Reposted by Alex Dickson
Heidi Klem @drklemistry.bsky.social · 02/07/2025
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
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Ed Sherer @hartreefocker.bsky.social · 07/06/2025
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...
jobs.merck.com
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...
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Alex Dickson @dicksonlab.bsky.social · 06/06/2025
This band has a bright future I can sense it youtu.be/CJ54eImz88w?...
youtu.be
Talking Heads - Psycho Killer (Official Video)
YouTube video by Talking Heads
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Christoph Dellago @chhdellago.bsky.social · 02/06/2025
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.
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Alex Dickson @dicksonlab.bsky.social · 21/05/2025
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!
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.
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Alex Dickson @dicksonlab.bsky.social · 19/05/2025
I asked my kids to sing the Canadian national anthem, and they started off to the tune of "O Christmas Tree" 😬
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Reposted by Alex Dickson
Ceren Kilinc @cerenkilinc.bsky.social · 08/04/2025
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
doi.org
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...
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Alex Dickson @dicksonlab.bsky.social · 08/04/2025
Flexing some old vector geometry muscles 😅
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Alex Dickson @dicksonlab.bsky.social · 22/03/2025
When you find the perfect photo..
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Alex Dickson @dicksonlab.bsky.social · 19/03/2025
Had a really great time presenting our Flexible Topology work to the folks at Qubit! @qubit-pharma.bsky.social vimeo.com/992123602
vimeo.com
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…
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Reposted by Alex Dickson
Jeremy Berg @jeremymberg.bsky.social · 11/03/2025
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...
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Alex Dickson @dicksonlab.bsky.social · 11/03/2025
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...
A partial screenshot showing exactly 10,000 unread emails on the Mail app.  A dramatic failure of communication in the modern era.
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Alex Dickson @dicksonlab.bsky.social · 10/03/2025
I must be growing as a person, since I just managed to register for the ACS COMP social more than two hours ahead of time. Hope to see you there! urldefense.com/v3/__https:/...
urldefense.com
Spring 2025 ACS Comp Social
Join us for our Saturday Social at City Tacos with your fellow ACS COMP members. Don't miss out on this chance to network and socialize with some great food and great company! You must be a registered...
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Alex Dickson @dicksonlab.bsky.social · 04/03/2025
If you're looking for a socially responsible (and stable!) investment, check out $BGRN. It is a green bond ETF that funds environmental sustainability projects around the globe. Yields 4% per year which isn't bad!
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Reposted by Alex Dickson
David De Sancho @daviddesancho.bsky.social · 28/02/2025
Now available as a Reviewed Preprint in @elife.bsky.social, our work on aromatic "stickers" in biomolecular phase separation @dipcehu.bsky.social doi.org/10.7554/eLif...
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Alex Dickson @dicksonlab.bsky.social · 18/02/2025
What's easier to learn: cryo-EM or MD simulations? Ben Orlando and I couldn't decide, so we are accepting post-doc applications from both fields! Come work with us to explore the intersection between cryo-EM and MD at Michigan State! careers.msu.edu/jobs/researc...
careers.msu.edu
Research Associate-Fixed Term - East Lansing, Michigan, United States
Position Summary A Postdoctoral Research Fellow position is available in the Department of Biochemistry and Molecular Biology (BMB) at Michigan State University. The fellow will work at the interface ...
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Alex Dickson @dicksonlab.bsky.social · 17/02/2025
We've embedded a diffusion model inside an MD simulation 🤓! Very happy to share this as it has been a long road to get here. More to come! vimeo.com/1055522578
vimeo.com
Flexible Topology + Diffusion!
Diffusion models and molecular dynamics, together at last! Here we show an inference trajectory of alanine dipeptide in an explicit water box. The atoms are colored…
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Reposted by Alex Dickson
Paulo C. T. Souza @pauloctsouza.bsky.social · 04/02/2025
🎉 Big news! 🎉 Together with Jianing Li (Purdue Univ.) & John Shelley (@schrodingerinc.bsky.social), I’m organizing a symposium on #CG #Modeling for Molecular & Formulation Design at ACS Fall 2025 (Aug 17-21, Washington, DC)! 🔬✨ For my part, I am grateful for the support of @ensdelyon.bsky.social!
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Open Free Energy @openfree.energy · 04/02/2025
We're changing the field of #compchem by creating free and open-source software for performing alchemical free energy calculations. Our flagship protocol calculates relative binding free energies of protein-ligand systems. Try it out in your browser: colab.research.google.com/github/OpenF...
Artistic rendering of a biochemical model: a small molecule ligand, shown as a ball-and-stick model colored by element, is bound in a pocket in a protein surface, shown as a space filling model colored off-white.
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Alex Dickson @dicksonlab.bsky.social · 04/02/2025
Random chemistry question 🧪: what is a small organic molecule that exhibits a well-documented conformational change in two different solvents?
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Derek Lowe @dereklowe.bsky.social · 31/01/2025
I’m putting together a post on what’s going on in the trenches in various parts of the NIH. Anyone who would like to share experiences (anonymously!) can reach me at Dblowe.18 on Signal
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Alex Karner @alexkarner.bsky.social · 01/02/2025
Have you been a victim of cancel culture?? DM/email me if you’ve had a transportation research project canceled in the past week. Affected work seems mostly to be XCRP but we’re interested in all funders. Goal is to quantify the collective impact on the field and chronicle the undone science.
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Alex Dickson @dicksonlab.bsky.social · 01/02/2025
Any millennials out there listening to new music? Whaddyagot?
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Alex Dickson @dicksonlab.bsky.social · 01/02/2025
A non-confrontationalist's guide to dealing with administrative overreach: 1) smile 2) "yes, we're exploring that" 3) "well, there are a lot of moving parts.." 4) go back to work
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Monica Gerber @monicagerber.bsky.social · 18/12/2024
I wrote up my thoughts on the lonely data scientist problem. I'd love to hear other people's experience with solving this, please comment! Thanks to @openscapes.bsky.social for helping me frame this. www.monicagerber.com/blog/2024-12...
monicagerber.com
Solving the lonely data scientist problem | Monica Gerber
Monica Gerber's personal website.
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Alex Dickson @dicksonlab.bsky.social · 03/12/2024
Not sure what my grad students are trying to tell me...
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Alex Dickson @dicksonlab.bsky.social · 21/11/2024
Open-rank tenure track positions in computational biology! Come work with a gaggle of great colleagues in the CMSE department at Michigan State! #msu #cmse #compbio #bioinformatics #genomics #BioSky careers.msu.edu/cw/en-us/job...
careers.msu.edu
MSU Careers Details - Ast/Asc/Full Professor - Tenure System
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Alex Dickson @dicksonlab.bsky.social · 19/11/2024
Anyone have recommendations for good books or other resources for learning C++?
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Alex Dickson @dicksonlab.bsky.social · 17/11/2024
Nice paper from the Dror lab on alternate activation mechanisms for GPCRs: www.nature.com/articles/s41...
nature.com
A non-canonical mechanism of GPCR activation - Nature Communications
Ligands that activate GPCRs generally do so by stabilizing a particular conformation of the transmembrane helices. Here, the authors reveal a distinct activation mechanism where a ligand instead stabi...
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Alex Dickson @dicksonlab.bsky.social · 15/11/2024
Maybe this is just the Canada in me, but I think Bluesky rhymes with "brewski" and I'm not taking questions at this time...
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