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 👿

🚨 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

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...

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.

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

Flexing some old vector geometry muscles 😅

When you find the perfect photo..

Had a really great time presenting our Flexible Topology work to the folks at Qubit! @qubit-pharma.bsky.social vimeo.com/992123602

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...

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:/...

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!

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...

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...

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

🎉 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!

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...

Random chemistry question 🧪: what is a small organic molecule that exhibits a well-documented conformational change in two different solvents?

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

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.

Any millennials out there listening to new music? Whaddyagot?

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

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...

Not sure what my grad students are trying to tell me...

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...

Anyone have recommendations for good books or other resources for learning C++?

Nice paper from the Dror lab on alternate activation mechanisms for GPCRs: www.nature.com/articles/s41...

Maybe this is just the Canada in me, but I think Bluesky rhymes with "brewski" and I'm not taking questions at this time...

Hey academics, who out there has experience starting a company? Any general advice or pros/cons you can share?