The AViDD centers were incredibly important for making scientific discoveries that improve human health. Hopefully they will be re-instated in some form

Grateful I was invited to share our recent efforts searching through sequence, structure, and chemical space to predict and combat antiviral drug resistance at the last Antiviral Drug Discovery (AViDD) Open Science Forum before it went on hold:https://youtu.be/FCZ0lFBs5sQ?si=Y7SBdksMSKI9Yedd

We have multiple ongoing projects related to protein engineering and antiviral drug resistance. Our lab uses a variety of dynamic computational and experimental techniques to unravel molecular mechanisms for rational design. Please send a CV and cover letter to be considered.

Currently interviewing candidates for Lab Manager Position
* expertise conducting high impact research with protein NMR spectroscopy required.
* this should be demonstrated by multiple first author publications.

Today Mortaza Derakhshani, PhD will be presenting "Enzyme Engineering for Sustainable Nylon Recycling" at the ACS Great Lakes Regional Meeting!

PhD student in the lab, Daniel Santos Perez gave his first poster presentation today at the Midwest Theoretical Chemistry Conference!
Titled "Weighted ensemble enhanced sampling for the elucidation of drug binding pathways"

AlphaFold is amazing but gives you static structures 🧊

In a fantastic teamwork, @mcagiada.bsky.social and @emilthomasen.bsky.social developed AF2χ to generate conformational ensembles representing side-chain dynamics using AF2 💃

Code: github.com/KULL-Centre/...
Colab: github.com/matteo-cagia...

We have Easter eggs on the lab windowsill!!

#Compchem experts can do experiments to! Everyone is learning how to test their protein mutation predictions this week 🧪👩‍🔬

This is the moment we've worked toward for a long time: First public disclosure of the @asapdiscovery.bsky.social pan-coronavirus antiviral aiming to help keep humanity safe from future pandemic threats like MERS-CoV and other bat coronaviruses.

Many of the sessions I've been in at #ACSSpring2025 have had almost exclusively (white) male speakers 👀 Can folks please link some of your favorite speakers who could be invited to help balance this?

Hard to overhear some of these conversations of those who choose to be silent for fear of being targeted, when many of us dont have a choice of whether or not to be targeted.

I guess I have a color pallete

regarding Columbia University, I just learned about this (anonymous) account of negotiations of the Hitler regime in the 1930s with Frankfurt University -- Germany's most prestigious university at the time:

Who else will be in town? Would love to catch up with peeps :)

Headed to San Diego ☀️
for #ACSSpring2025

Resources for Federal Scientists from the Union of Concerned Scientists

Here are resources to have on hand during the Trump administration. We will continue to update this page as more resources are developed. 🧪

www.ucs.org/resources/re...

Trump just directed the DOJ to attempt to disbar attorneys who take legal action against the executive branch while also indicating they will do the same to immigration attorneys.

www.whitehouse.gov/presidential...

It was great to catch up with friends at APS: Pilar Cassio, @rocovino.bsky.social Jutta Rogal, Berend Smit, Tess Smidt and @terrasztain.bsky.social

You cannot negotiate with terrorists. If the Ivies give in to any regime demands, the goal posts will move. If the massive ivy endowments aren’t deployed to preserve institutional integrity and academic freedom, what on earth are they for?

Super excited to preprint our work on developing a Biomolecular Emulator (BioEmu): Scalable emulation of protein equilibrium ensembles with generative deep learning from @msftresearch.bsky.social ch AI for Science.

www.biorxiv.org/content/10.1...

This breaks my heart. My salary at St. Jude was paid through our comprehensive cancer center grant. My wife's oncologist is at a comprehensive cancer center. Millions of children and adults with cancer get treatment in these 57 centers around the country. These are essential locations for research.🧪