Alice R. Walker

If you like to sample from the Boltzmann distribution and are in San Diego for NeurIPS, be sure to check out Rishal's (@rishalchich.bsky.social) poster (#2110). Great work with Nick Boffi (@nmboffi.bsky.social) and Jacky Chen.
neurips.cc/virtual/2025...
arxiv.org/abs/2507.00846

The Department at Wayne State University is inviting applications for a faculty position in the broad area of microelectronics chemistry. Wayne State is a Carnegie R1 research university.

Visit the following link to apply: waynetalent.csod.com/ux/ats/caree...

Cartoon with principle of Flash-away and images of cells

FLASH-AWAY: Intrabody-Directed Targeting of Optogenetic Tools for Protein Degradation: pubs.acs.org/doi/10.1021/...

Summer Undergraduate Research Experience | HHMI The Cech Fellows Program is a paid, nine-week summer research experience empowering the next generation of scientific leaders.

Calling all rising juniors & seniors: Interested in biological or biomedical research? Applications for our ’26 Summer Undergraduate Research Experience Program are now open! Nine weeks, hands-on research, & mentorship from some of the nation’s top scientists — learn more: bit.ly/CechFellows

StayRose: A photostable StayGold derivative redshifted by genetic code expansion Photobleaching of fluorescent proteins often limits the acquisition of high-quality images in microscopy. StayGold, a novel dimeric GFP recently monomerized through sequence engineering, addresses thi...

Our new paper is published in the Journal of Chemical Biology! 🏮 We share StayRose, a red version of StayGold 🏮 StayRose has an unnatural amino acid-based chromophore, and has the same immense photobleach-resistance as StayGold 💡

Introducing the 𝐏𝐈-𝐚𝐭-𝐜𝐨𝐧𝐟𝐞𝐫𝐞𝐧𝐜𝐞 𝐒𝐥𝐚𝐜𝐤 𝐦𝐨𝐝𝐞! 🤯

When activated, it will auto-reply to your PI's frantic ideas for new experiments, analyses, and projects with "Great suggestion! Saving this for later" (aka: let's talk when you’re back and got some sleep)

#sfn2025 #sfn25

Is there a hashtag for STEM internships?

Merck is accepting applications for internships in cell biology and assay development, immunogenicity, protein metabolism, biostatistics, vaccine communications, DMPK, and discovery and process chemistry.

A bad thing is unfolding at NIH this week: It looks like the Trump administration is trying to replace key civil servant scientific leaders, the Institute Directors, with political hires. These directors control the NIH budget, tens of billions.

A bit of a video explainer here: 1/ 🧪

vaguely amused that I found a paper describing the "Amber suitcase" of programs... 😂 I guess it does feel like a lot is packed in there! #compchem

I wouldn’t go so far as to say “captures it well” but on the scale of visually distinct gaff2 in Amber worked fine.

I have used graphene vs. diamond before

Tonight, I am voting no on a procedural vote on an appropriations deal that would re-open the government. Since July, I have been clear: to earn my vote, Republicans would have to do something to bring down the cost of health care for working and middle-class Michiganders. (1/4)

I thought the show made fun of them for missing the dolly in their panic, though I haven’t seen it in a long time

The Departments of Chemistry and Chemical Engineering and Materials Science invite applications for an assistant professor faculty position in microelectronics chemistry. #wsuchemistry #chemjobber #chemistryindetroit #AlDep #ChemSky

waynetalent.csod.com/ux/ats/caree...

Cover of the 2nd Edition of Essentials of Computational Chemistry

In the believe it or not category:
The 3rd edition of Essentials of Computational Chemistry is, lo these 20 years later, under contract... 😮
(Here's hoping my co-authors, to whom I shall afford anonymity until the revised draft is delivered, survive what they signed up for! 😬)

StayRose: a photostable StayGold derivative red-shifted by genetic code expansion Photobleaching of fluorescent proteins often limits the acquisition of high-quality images in microscopy. StayGold, a novel dimeric green fluorescent protein recently monomerised through sequence engi...

mStayRose is published in JBC 🥳🎉

Congratulations @wsctt.bsky.social @sporemohan.bsky.social and team for the monumental effort to make a non-natural amino acid incorporating fluorescent protein accessible. It's based on mStayGold, bright, and photostable:

www.jbc.org/article/S002...

TorchANI 2.0: An Extensible, High-Performance Library for the Design, Training, and Use of NN-IPs In this work, we introduce TorchANI 2.0, a significantly improved version of the free and open source TorchANI software package for training and evaluation of ANI (ANAKIN-ME) deep learning models. Tor...

If you used our ANI MLIPs, you probably used our TorchANI library. Now, new and improved version 2.0. Use it, enjoy it, break it, let us know what you did or tried to do with it. doi.org/10.1021/acs.jcim.5c01853
@ignaciopickering.bsky.social @nickterrel.bsky.social @khuddleston.bsky.social

I received many requests to share materials from our undergraduate course “Machine Learning in Chemistry”
— here you go!

A preprint summarizing insights and lessons learned:
chemrxiv.org/engage/chemr...

A Jupyter Notebook Tutorial Gallery:
xuhuihuang.github.io/mlchem/html/...

Developed by the multi-talented @pabloarantes.bsky.social & @SouvikSinha members of my lab:
ParametrizANI brings #MachineLearning - based #ForceField parametrization available to everyone
Available on Github: github.com/palermolab/P...

I have been trying to get this published as an op-ed, but I am going to post it here since I think it is timely in light of the "consent" extortion events.

Deafening Quiet from the Scientific Establishment

jeremymberg.github.io/jeremyberg.g...

1/14

Let this be a motto for all of us, when we peer review:
“Review the manuscript in front of you, not the one you wish existed.”
@earlkmiller.bsky.social

JACS Supplementary Cover - Week Commencing September 29

On the front cover of this week's #JACS: "Hydrogen Activation by a σσ*-Carbene Through Quantum Tunneling"

Read it here 🔗 buff.ly/fbglxTg

#ChemSky

We are looking for 2-3 prospective graduate students to join our group starting the Fall 2026 term. Main projects include method development for ML, MD, drug design, and QM.
Please, apply through: lnkd.in/gnM_wC_H

Let’s hope this quote plays out…

“The truth may be stretched thin, but it never breaks, and it always surfaces above lies, as oil floats on water.”

—Don Quixote, by Miguel de Cervantes Saavedra

This chemist aims to change the game for species conservation Tim Cernak is using modern drug development tools to make medicines for endangered plants and animals

Tim Cernak is using modern drug development tools to make medicines for endangered plants and animals. cen.acs.org/synthesis/me... #chemsky 🧪

I AM DISGUSTED BY THE COMMENTS OF OUR PRESIDENT THAT TYLENOL CAUSES AUTISM

Scientists it is our RESPONSIBILITY to speak up and debunk this stuff in real time.

Autism discovered: 1911
Acetominophen first used as prescription: 1951
Acetominophen non-prescription: 1955

Sensitive red fluorescent indicators for real-time visualization of potassium ion dynamics in vivo Despite recent advances in green genetically encoded potassium indicators (GEPOs), developments in red-shifted GEPOs have been slower. These authors engineer two new red fluorescent potassium indicato...

Our latest paper in PLoS Bio, where we support with describing the mechanism of new red K+ sensors with MD! We found a new binding site that explains the sensitive turn-on response and selectivity against Ca, among other fun insights #chemsky #fluorescence #fluorescentprotein
doi.org/10.1371/jour...

Protip: how to reuse your old CPUs!

Triplet Spin Delocalization and Temperature Dependence for Adiabatic and Non-Adiabatic Z–E Isomerization Pathways in Azoarenes Photoswitching molecules like the azoarenes have myriad potential applications, ranging from energy storage to targeted drug delivery. Upon irradiation, azoarenes convert from an E-form to a Z-form. T...

Now in @jacs.acspublications.org Sharing Francisco’s new work on modulating the thermal isomerization mechanisms of photoswitching azoarenes. pubs.acs.org/doi/full/10....