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Alice R. Walker

@arwalker.bsky.social
1.7K followers 1.4K following 199 posts

Associate professor of computational chemistry at Wayne State University (Detroit). Computational simulations of fluorescent biomolecules. PhD@Cisneros, PD@Martinez #bifurious

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Reposted by Alice R. Walker
Stu Cantrill @stuartcantrill.com · 01/10/2026
One for #ChemSky 👇
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Reposted by Alice R. Walker
Tessa Montague @tessamontague.bsky.social · 29/09/2026
My dream is to record neural activity in their brain while they camouflage so we can see how the visual world is represented in the brain & transformed into a recreation of the world on the skin. To do this, we need to generate new genetic lines: animals whose neurons fluoresce as they fire (GCaMP)
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Reposted by Alice R. Walker
Craig Kaplan @triggerloop.bsky.social · 25/09/2026
It is the case. The Biosketch has a certification so that happens when you generate the document. They updated the current certification to expire Sept 26. So you need new one
Action needed — Regenerate SciENcv documents before upcoming NIH and other federal submissions

The Office of Sponsored Programs (OSP) has become aware of time-sensitive issues affecting SciENcv generated documents.

SciENcv updated the digital certificate used to sign Biosketch and Current & Pending (Other) Support (CPOS) documents without notification. The old certificate expires Saturday, September 26, 2026. Documents downloaded from SciENcv before that date may fail validation in eRA Commons and generate errors that delay or block submission.

This certificate change affects applications and RPPRs to NIH, AHRQ, CDC, NIOSH, FDA, and VA submitted on or after September 26, whether they are submitted in PERIS™ MyFunding/System-to-System, ASSIST, or Grants.gov Workspace. Because SciENcv is also used to prepare Biosketch and CPOS documents for NSF, DOE, NASA, and USDA proposals, investigators with imminent submissions to those agencies are encouraged to regenerate their documents as a precaution.

What to do

Investigators should log back into SciENcv and regenerate their Biosketch and CPOS documents. When 'Download PDF' is selected, SciENcv will prompt the investigator to certify. The new PDFs should replace any older versions in in-progress applications.

October 5 R01 deadline

Any in-progress application that already includes Biosketch or CPOS documents will need those documents regenerated and replaced this coming week.
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Reposted by Alice R. Walker
Volker Blum @aimsduke.bsky.social · 14/09/2026
@compchemsky The next @fhi-aims.bsky.social webinar will be held on October 07 and October 08, 2026. Automated Data Generation for Machine Learning Force Fields with aims-PAX and FHI-aims Talk and Speaker: Tobias Henkes (University of Luxembourg) events.ms1p.org/event/23/
events.ms1p.org
Automated Data Generation for Machine Learning Force Fields with aims-PAX and FHI-aims
Save the date(Calendar Entry / Zoom Link) Watch on YouTube Watch on KouShare Join us for this webinar, consisting of an expert talk and interactive hands-on sessions, on automated data generation for ...
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Alice R. Walker @arwalker.bsky.social · 14/09/2026
How to get a lot of work done: get bumped to a flight 29 hours later than your original one and be bored waiting in a French airport
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Reposted by Alice R. Walker
Adrian Liston @labliston.bsky.social · 27/08/2026
Two post-doc positions available in our lab! It is a supportive environment and on which boosts careers! Historically, of our ~30 post-docs 27% have gone on to tenure-track positions, 27% did another post-doc, and 42% have gone on to positions in biotech or pharma.
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Tim Hathway @timdarklighter.bsky.social · 31/08/2026
Shameless plug for a cool puzzle game that uses the same critical thinking skills as structural analysis from NMR spectroscopy. (Try the ten tutorial puzzles before attempting the daily puzzle). www.multiplet.app
multiplet.app
Multiplet — Daily NMR Spectrum Puzzle
A daily puzzle game inspired by chemistry and NMR spectroscopy. Build a structure whose spectrum matches today's target.
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Reposted by Alice R. Walker
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 Alice R. Walker
Erik A. Rodriguez @erin-rod.bsky.social · 28/08/2026
✨🌟The 3D-printed structure of Discosoma red fluorescent protein (DsRed)!🌟✨ The red chromophore is fluorescent due to rigidification by the white beta-barrel. We made the model using 1ZGO.pdb. #FluorescenceFriday #SciArt #FluorescentProtein
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Alice R. Walker @arwalker.bsky.social · 26/08/2026
One of my favorite book series of all time, I never knew Tim Curry narrated it
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Reposted by Alice R. Walker
wendy norris @wendynorris.bsky.social · 25/08/2026
Sharing my generative AI course policy in case anybody is looking for ideas on how to frame a big ol' "nope, not for any purpose" statement. For context, I teach computational data science, AI systems, ML, and Python programming courses.
docs.google.com
Course policy on Generative AI
TL;DR: Generative AI apps (e.g., ChatGPT, Copilot, Gemini, Perplexity, Grok, etc.) are prohibited in this course. You may NOT submit any ideas, outlines, text, multimedia, images, programming code, an...
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NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social · 24/08/2026
Attending #ACSChicago? Don't miss this talk by @olexandr.bsky.social! #chemistry #ACSFall2026 #ACS #datachemistry
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Reposted by Alice R. Walker
Nigel Goldenfeld @nigelgoldenfeld.bsky.social · 23/08/2026
Link to proposed changes and supporting information (the important bit). www.regulations.gov/docket/NSF-2... Link to make comments. www.regulations.gov/commenton/NS... Deadline: Monday 24 Aug 11.59pm Eastern. NSF: 2k comments so far. OMB: had ~ hundreds of thousands
regulations.gov
Regulations.gov
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Reposted by Alice R. Walker
Jacquelyn Gill @jacquelyngill.bsky.social · 21/08/2026
Hey folks, this hasn’t gotten much attention, but remember those proposed OMB rule changes we all commented on recently? There’s a new attempt to sneak them just for NSF. We have three days to comment. Please don’t sleep on this!
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Alice R. Walker @arwalker.bsky.social · 22/08/2026
This list is amazing and I wish I’d had it 4 years ago
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Reposted by Alice R. Walker
Erik A. Rodriguez @erin-rod.bsky.social · 21/08/2026
Today, I would like to honor the memory of Roger Y. Tsien, who died on August 24, 2016. His legacy lives with all who use his technologies, including calcium sensors, fluorescent proteins, the acetoxymethyl (AM) ester, & many more! #FluorescenceFriday www.nature.com/articles/nme...
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I-270, Exit 1 @i270exit1.bsky.social · 14/08/2026
This plan will make peer review less transparent and more confusing to applicants and program staff. Y'all killed it on the OMB proposal, you know what to do here. Comment deadline is October 13.
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Alice R. Walker @arwalker.bsky.social · 12/08/2026
Current grantwriting soundtrack: Donna Lynne Champlin running the gamut of human emotion via satirical songs
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bioRxivpreprint @biorxivpreprint.bsky.social · 03/08/2026
Discovery of a buried charge-network GFP-fold family spanning prokaryotes and eukaryotes (Draft manuscript) www.biorxiv.org/content/10.64898/20…
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Alice R. Walker @arwalker.bsky.social · 04/08/2026
I have fallen into the depths of summer paper land, where I only exist to review other articles and respond to reviews for my articles, and somehow still ACS has decided that I have to log in in the most roundabout way to their main website before going to the pub center #rude
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Derek Lowe @dereklowe.bsky.social · 23/07/2026
Thoughts on the various Trump administration proposals to revamp US science funding - and what they all have in common:
science.org
The Assault On Science Funding Continues
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Luke Lavis @rhodamine110.bsky.social · 17/07/2026
Excited to see this collaboration now in print. Dye chemistry meets AI-designed proteins. Three small, orthogonal tags; lifetime modulation; split versions. Request the free dyes at dyes.janelia.org www.science.org/doi/10.1126/...
science.org
De novo design of orthogonal far-red, orange, and green fluorophore-binding proteins for multiplexed imaging
Fluorescent proteins and small-molecule dyes offer complementary advantages for biological imaging: proteins are amenable to genetic tagging, whereas dyes provide superior brightness and photostabilit...
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Jay Forsythe @jaygforsythe.bsky.social · 15/07/2026
Our department is hiring! We teach and do research with undergraduates exclusively. For a PUI, we have very good facilities and instrumentation (400 MHz NMR, six MS). Great colleagues and students — about 1/3 of majors go on to Ph.D. #chemsky @chemjobber.bsky.social jobs.cofc.edu/postings/18244
jobs.cofc.edu
Assistant Professor of Chemistry and Biochemistry (organic)
Tenure-Track Assistant Professor in Organic Chemistry. The Department of Chemistry and Biochemistry at the College of Charleston invites applications for a tenure-track faculty position beginning in F...
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Dan Garisto @dangaristo.bsky.social · 10/07/2026
New: The National Science Foundation is preparing to claw back some $500 million in funds from some of its core science programs in physics, math, computer science, and engineering in order to fund a project from the White House Office of Science and Technology Policy.
nature.com
NSF plans cuts to core science programmes to fund White House initiative
A proposed clawback of already distributed research funds comes as the US agency’s budget is already squeezed and it struggling to clear a backlog of grant applications.
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Karolina Heyduk @kheyduk.bsky.social · 14/07/2026
We're not done friends. See thread. Comment on the NSF proposal, contact your reps!
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Benjamin Pope @benjaminpope.bsky.social · 01/07/2026
cutting pure science to prioritize applications is fundamentally like asking farmers not to waste time producing grain, cheese, and tomatoes and focus on making pizzas
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Ulm's Institute of Theoretical Physics @qubitulm.bsky.social · 11/10/2025
We are on a roll! Yet another paper from the group. Learn how biomolecular switches may profit from operating in a correlated manner, e.g. by being in contact with the same environment in a work by Rudi, Daniel and Giovanni. journals.aps.org/pra/abstract... #Quantum @quantumbiology.bsky.social
journals.aps.org
Correlated dynamics as a resource in molecular switches
Photoisomerization, a photochemical process underlying many biological mechanisms, has been modeled recently within the quantum resource theory of thermodynamics. This approach has emerged as a promis...
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Reposted by Alice R. Walker
BejaLabTechnion @bejalab.bsky.social · 02/07/2026
Photoswitchable optoGPCRs for reversible control of Gs and arrestin signalling www.biorxiv.org/content/10.64898/2026.07.01.735182v1
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Jenna Norton @jenna-m-norton.bsky.social · 30/06/2026
I love everything about this editorial by @dereklowe.bsky.social. Silence won't save anyone in the end. www.science.org/content/blog... "So the CEOs have decided to lie very still and hope that no one notices them.... But will it work? Only so long as Trump and his creatures see a benefit in it..."
science.org
Speaking Up: Who Is, and Who Isn't
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Abhi Aggarwal @abhiaggarwal.bsky.social · 22/06/2026
🟧 Orange is the new green?? 🟧 New sensitive orange calcium indicator (🟠OCaMP) now out in Nature Comms: www.nature.com/articles/s41... Highlights ⚡ Detects single action potentials in vivo 🔬 Optimized for 1030 nm imaging 📸 Highly photostable, minimal photoswitching 🌈 Multiplex with green biosensors
OCaMP Figure 2OCaMP Figure 5OCaMP Figure 6
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Reposted by Alice R. Walker
Nature Chemical Biology @natchembio.nature.com · 17/06/2026
A new paper presents CANVAS, a computational workflow that converts minimal de novo TIM barrels into enzymes by designing structural lids that generate tailored active sites www.nature.com/articles/s41...
nature.com
Customizing the structure of minimal TIM barrels to craft efficient de novo enzymes - Nature Chemical Biology
The TIM barrel is nature’s most versatile enzyme fold, yet de novo variants lack functional active sites. Minimal de novo TIM barrels have now been converted into enzymes by designing structural lids ...
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Daumann Lab @daumannl.bsky.social · 17/06/2026
A [Cu-4Fe-4S] cluster? Yep, you read that right! We report a new bioinorganic motif in an acetol dehydrogenase and characterized it with our wonderful collaborators from @ribesresearch.bsky.social @lmu.de @cutsail-lab.bsky.social @ksgchem.bsky.social @mpi-mr.bsky.social @hhu.de 🧪 #chemsky
View of an iron sulfur cluster with an additional metal ion. Copper as copper-colored sphere, Iron as silver sphere, and sulfur as yellow spheres. Protein backbone indicated as golden tubes
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Alice R. Walker @arwalker.bsky.social · 17/06/2026
Something that has improved my powers of concentration/getting stuff done enormously--getting a small MP3 player that only has music I like, doesn't pause for ads, doesn't require internet, is tiny enough to live in my pocket, etc. Most important: it's NOT my phone
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Reposted by Alice R. Walker
Mara Duncan @mcduncanlab.bsky.social · 16/06/2026
Just got a notice of award for an R01. I will be hiring. I'll be looking for either a staff scientist or postdoctoral researcher. The project explores the conserved HEATR5 family of proteins. Their roles in AP1 mediated traffic, and links to motors.🎉
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Alice R. Walker @arwalker.bsky.social · 09/06/2026
Want to compare different LLMs on extracting chemical data from papers? Check out LoA! Paper: pubs.acs.org/doi/10.1021/... Github/Jupyter/Docker: github.com/arwalkerlab/... #compchem #chemsky
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Chenxin Li, PhD @chenxinli2.bsky.social · 30/05/2026
Dear colleagues, PLEASE submit a comment against OMB's proposed rule. Elizabeth wrote great guide on drafting a comment. To submit it, go to www.regulations.gov/search and search for OMB-2026-0034. It will take time & effort to write a good comment, but a worthwhile effort to save our profession.
regulations.gov
Regulations.gov
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Alice R. Walker @arwalker.bsky.social · 27/05/2026
hey #chemsky / #compchem - "molecular dynamic simulations" or "molecular dynamics simulations"? I always thought it was the second one but I keep seeing the first and becoming unreasonably irked
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Miranda-Quintana group @groupquintana.bsky.social · 05/05/2026
#postdoc position in our lab explore.jobs.ufl.edu/en-us/job/53...
explore.jobs.ufl.edu
University of Florida - Details - Chemistry Post-Doctoral Associate - Unsupervised and Generative Machine Learning
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Reposted by Alice R. Walker
Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social · 22/05/2026
Ukrainian 🇺🇦 embroidery, known as vyshyvanka - organic chemistry edition #chemsky
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Reposted by Alice R. Walker
Mike Feigin 🥯 @mikefeigin.bsky.social · 22/05/2026
🚨 New preprint from the Feigin Lab! 🚨 www.biorxiv.org/content/10.6... Opioids have profound effects on the pancreatic cancer microenvironment! An FDA-approved opioid antagonist that doesn't cross the blood brain barrier decreases tumor aggressiveness in a mouse model of pancreatic cancer!
biorxiv.org
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@wsuchemistry.bsky.social @waynestatechem.bsky.social · 21/05/2026
First author, Andrea Batchev’s paper: “Cyclen Tetra‐Amide Ligands as a Privileged Class of Ligands for Studying Second‐Sphere Coordination Environments The paper is a collaboration between the Allen and Walker Labs at #wsuchemistry. #ChemSky chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/...
chemistry-europe.onlinelibrary.wiley.com
Cyclen Tetra‐Amide Ligands as a Privileged Class of Ligands for Studying Second‐Sphere Coordination Environments
Cyclen tetra-amide derivatives provide a privileged ligand platform for controlling second-coordination sphere structure. Hydrogen-bond networks in the second-coordination sphere are leveraged to sta...
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Joachim Goedhart @joachimgoedhart.bsky.social · 20/05/2026
A Spectrum of Possibilities: A Systematic Evaluation of Fluorescent Proteins in Cyanobacteria by Anna Behle and team: www.biorxiv.org/content/10.6...
Optimal signal-to-background ratios plate reader of each FP strain
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I-75 Scientist @flscitriguy.bsky.social · 12/05/2026
Please share widely. The new (simpler) MIRA R35 for Early Stage Investigators (ESI) NOFO is published. First due date is 10/2/2026. files.simpler.grants.gov/opportunitie...
files.simpler.grants.gov
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Julia Lazzari-Dean @jlazzaridean.bsky.social · 12/05/2026
We invented “triplet tumbling microscopy” (TTM) to track protein-protein interactions in living cells! Tag your protein with GFP and see it interact with *untagged* binding partners www.biorxiv.org/content/10.6...
A cartoon overview of triplet tumbling microscopy, comparing data from bound and unbound samples.
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Joachim Goedhart @joachimgoedhart.bsky.social · 10/05/2026
Wonderful opportunity to hear about the latest progress in fluorescent probe technology ⬇️
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Ville Kaila @kailalab.bsky.social · 10/05/2026
Happy to share how low-barrier hydrogen bonds power PCET reactions in metal-free RNRs - now out in PNAS! So proud of my lab & for great collaboration w Heberle, Kasanmascheff & Högbom Labs. Thank you @kawresearch.bsky.social for long-term support of our research! www.pnas.org/doi/10.1073/...
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In Preparation @inprep.bsky.social · 08/05/2026
inpreparation.substack.com
Go Ahead and Use AI to Design Drugs. It Will Only Help Me Dominate You.
A message of support for my fellow drug hunters
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Adrian Roitberg @adrianroitberg.bsky.social · 01/05/2026
Amber/26 and AmberTools/26 has been released! Lots of new features added. As always, free to academic, and now with new licensing options for industry. Go give it a try ! ambermd.org
ambermd.org
The Amber Molecular Dynamics Package
Amber is a package of programs for molecular dynamics simulations of proteins and nucleic acids
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