anunesalves.bsky.social - Profile | ThreadSky | a Reddit-style client for Bluesky

Check it out! sbdd-congress.it Registration will open SOON !!!!

submitted 4 days ago • 0 comments

6 Männer 0 Frauen "Wir sind bereit für einen Politikwechsel in Deutschland. Enge Abstimmung von @CDU und @CSU heute Morgen im Konrad-Adenauer-Haus in Berlin." So sieht er aus, der Politikwechsel. Ohne Frauen.

submitted 4 days ago • 88 comments

In St Augustine for the Sanibel Symposium. big thanks to the organizers for taking me out of gray Berlin. 😂 #compchem

submitted 6 days ago • 0 comments

Students check out the @tuberlin.bsky.social Summer school on Green Chemistry 🌱 going down between 18.8 - 29.8.2025 #ChemSky www.tu.berlin/en/internati...

submitted 12 days ago • 0 comments

Dear federal scientists: If you have been affected by the probationary firings and would be willing to speak with Science, please reach out to me by email ([email protected]) or on Signal. We can guarantee annonymity.

submitted 14 days ago • 24 comments

It's Nice To Be Disliked (By One Of Those)

submitted 8 days ago • 35 comments

If you are at #BPS2025 and want to hear about the results of an integrative project where we teamed up with ns-Fluorescence Correlation and Neutron Spin Echo spectroscopists to elucidate the Hsp90 dynamics repertoire for allostery, come to my talk in room 515B!

submitted 11 days ago • 1 comment

🚀 First Bluesky Post! 🎉 VMD 2.0 Alpha is here! Released today at BPS 2025, this is the biggest update in 30 years—new UI, real-time ray tracing, fast surfaces, UHD & touchscreen support. Monthly updates coming in 2025! Try it now! #VMD #BPS2025 #MolecularVisualization www.ks.uiuc.edu/Research/vmd...

submitted 12 days ago • 3 comments

I will be in conferences in the next weeks, happy to chat and hang out for a beer or coffee, just DM me! Sanibel Symposium in St. Augustine (USA): Feb 23-28; Indian Biophysical Society in Chennai (India): March 5-9; CECAM workshop on binding kinetics in Lausanne (Switzerland): March 10-13. #compchem

submitted 12 days ago • 0 comments

Keeping my tradition of visiting the Berlinale every year! 💙

submitted 13 days ago • 0 comments

Less than two weeks left to register for the 2025 CECAM Flagship school in computational photochemistry: shorturl.at/xsbEa with lectures from Basile Curchod, Javier Segarra, Javier Cerezo, Roger Bello and myself. Please spread the word! #compchem #compchemsky

submitted 14 days ago • 0 comments

#compchem Good read: Markov State Models with Weighted Ensemble Simulation: How to Eliminate the Trajectory Merging Bias #compchemsky #biosky pubs.acs.org/doi/10.1021/...

submitted 15 days ago • 1 comment

Anyone who wants to talk to me about RFK's confirmation for @cenmag.bsky.social, here's how to find me: [email protected] [email protected] (encrypted) 617-356-7419 (call or text) rowanwalrath.01 on Signal (encrypted) Or just DM me here on Bluesky. #chemsky #scisky #biosky

submitted 16 days ago • 1 comment

Come to #accelerate25 the premier conference on #aiformaterials #selfdrivinglabs #chemsky Please RT

submitted 15 days ago • 0 comments

Reminder: I'm helping to organize a symposium on "Chemical Reaction Networks, Retrosynthesis, and Reaction Prediction" for the Fall ACS meeting. We welcome submissions in many areas of studies of reactivity, including reaction design and optimization, ML and datasets, benchmarks, etc. 🧪 ⚗️ #compchem

submitted 15 days ago • 1 comment

The FREE Hybrid Cambridge Cheminformatics Network Meetings are back! 19/02, 23/04, 03/09 & 12/11. Held on Zoom or in person at @ccdc.cam.ac.uk. Zoom registration for the 19th Feb: cam-ac-uk.zoom.us/meeting/regi... Details of future meetings can be found here: c-inf.net #compchem #chemsky

submitted 19 days ago • 0 comments

We had the pleasure to host @dbkonrad.bsky.social today for a @unisyscat.bsky.social Colloquium! Thanks for the great scientific discussion, David! 🤩

submitted 16 days ago • 0 comments

The next #UniSysCat colloquium is approaching: Tomorrow, February 12 at 5:15 pm, Dr. David Konrad from @lmumuenchen.bsky.social will give a talk about his biomedicinal research. If you'd like to join online, please write to [email protected] @anunesalves.bsky.social #compchem #biomedicine

submitted 18 days ago • 0 comments

Hi friends, we are hiring for a non-lab-based undergraduate summer intern! Paid position, for students who can be based in UK. Please share with those who may find it relevant! #AZProud #chemjobs #ukchemjobs #chemsky 🧪 www.linkedin.com/posts/nessac...

submitted 22 days ago • 0 comments

🚨Academic scientist friends who are members-ideally leaders- of scientific professional societies, I need your help. 🚨 There is a sign-letter being prepared that will speak out against recent politicization of scientific funding and demonization of scientific researchers. 🧪🌎🦑

submitted 23 days ago • 18 comments

If you’re using Julia in chemistry or materials science, we encourage you to submit a proposal to the Computational Chemistry and Materials Science Minisymposium at JuliaCon 2025 in Pittsburgh, PA, from July 21–26. @julialang.org @juliacon.bsky.social discourse.julialang.org/t/computatio...

submitted 25 days ago • 0 comments

Great opportunity for early-career group leaders! EMBO offers funding & networking for researchers in Chile, India, Singapore, & Taiwan. 👇 📅 Apply by 1 May

submitted 25 days ago • 0 comments

On February 11, the IUPAC Global Women's Breakfast #GWB2025 will take place under the motto “Accelerating Equity in Science”. Watch the video message from GDCh President Stefanie Dehnen calling for participation in the event: youtu.be/l7fBVBqf8F0 Further information on GWB2025 : iupac.org/gwb/

submitted 25 days ago • 0 comments

How can Generative AI help improve molecular dynamics simulations, potentially supporting drug discovery and materials design in the near future? Simon Olsson @smnlssn.bsky.social has some answers: www.youtube.com/watch?v=souA... @simplaix.bsky.social @rebecca-wade.bsky.social

submitted 31 days ago • 0 comments

Hi everyone, the abstract submission deadline (14 February 2025) is nearing. We are very much looking forward to your submissions for oral presentations and posters. #chemistry #cheminformatics #chemsky

submitted 38 days ago • 0 comments

We are looking for highly motivated PhD students, who would like to work on metal-free magnetism at TU Dresden. For more information, please see www.verw.tu-dresden.de/StellAus/ste... #PhDjobs #Phdsky #chemjobs #chemsky #academicjobs #researchjobs #chemphd #PhDchat #scitwitter ⚛️🧪 #compchem

submitted 36 days ago • 1 comment

Pipeline to predict (i) the structure of kinase-inhibitor complexes using docking and (ii) binding affinities using machine learning. This could help in the development of selective drugs against kinases. #compchem pubs.acs.org/doi/10.1021/...

submitted 35 days ago • 0 comments

Machine Learning in Drug Discovery Resources page updated for 2025. github.com/PatWalters/r...

submitted 37 days ago • 5 comments

1 week left to apply for this fully funded #compchem PhD opportunity part of the EU Marie Curie Doctoral Network, “CATALOOP” 🗓 Deadline: 31/01/2025 📥 How to Apply: submit your application via the university portal shorturl.at/nHyAo

submitted 37 days ago • 0 comments

#AlphaFoldology use of AF2bind to predict small molecule binding sites for human proteome

submitted 37 days ago • 0 comments

Our paper entitled "Development of Receptor Desolvation Scoring and Covalent Sampling in DOCK 6: Methods Evaluated on a RAS Test Set" is published in JCIM: pubs.acs.org/doi/full/10....

submitted 37 days ago • 0 comments

Opportunity for artificial intelligence scientist at Sanofi (Frankfurt Germany) ref: R2780541 | closing: 01-Mar-2025 #CADD #AI #ML #cheminformatics #CompChem #EUChemJobs #ChemJobs #chemsky 🧪 sanofi.wd3.myworkdayjobs.com/SanofiCareer...

submitted 38 days ago • 0 comments

ModBind, a new enhanced sampling method to predict koff rates for protein-ligand complexes. This method builds on the idea of running MD simulations with a scaled potential to facilitate ligand unbinding. The method was tested on HSP90, FAK and p38 MAP kinase. #compchem pubs.acs.org/doi/10.1021/...

submitted 42 days ago • 0 comments

If you are interested in #AI and #DrugDiscovery, attend the upcoming ICCS June 1st - Jun 5th in Noordwijkerhout! Last call for papers. Please repost! Registration and abstracts (deadline 14 Feb): iccs-nl.org/general-info...

submitted 43 days ago • 3 comments

✨ Open Call For Submissions ✨ The Royal Society of Chemistry has an open call for submissions to a range of journals in support of #LatinXChem! List of journals taking part available here: blogs.rsc.org/cc/2025/01/1... The collection is now open for submissions until 31st May 2025! #ChemSky 🧪

submitted 45 days ago • 2 comments

Come be my colleague! We are recruiting an Assistant Prof in #compchem - broadly defined, all areas are welcome, the key requirement is excellence! Deadline February 2. #academicjobs @chemjobber.bsky.social www.jobs.ac.uk/job/DLH550/a...

submitted 46 days ago • 0 comments

📚✨ We're building a library! Our first book spotlight is Black, Brown, Bruised by Ebony Omotola McGee. McGee's research underscores the urgent need for inclusive environments that empower all aspiring scientists. 🔗 Share your recommendations: cientificolatino.com/library

submitted 46 days ago • 0 comments

#Chemsky - Do you have a chemical romance? @cenmag.bsky.social's Prachi Patel is looking for couples in chemistry for an upcoming #Newscripts column. Reach out to her at [email protected] if you're willing to chat with her about the chemistry behind your romance and what you bond on.

submitted 47 days ago • 3 comments

Happy Birthday, #ChemBioChem! We're looking forward to seeing the anniversary activities unfold over the course of 2025 - stay tuned! Together with ChemBioChem, #ChemPhysChem turns 25 as well, while #ChemEurJ celebrates its 30th birthday: www.chemistryviews.org/chemistry-a-... #ChemSky

submitted 47 days ago • 1 comment

Disappointing new study showing - once again - that women are leaving research careers at far higher levels than men If you're interested to read about strategies to reverse these types of curves, check out our recent #Cell perspective- link below ⤵️ #WomeninSTEM 👩‍🔬👩🏾‍🔬🧪 www.nature.com/articles/d41...

submitted 49 days ago • 12 comments

The 7th International Mini-Symposium on Molecular Machine Learning will take place online on Jan 16th, with talks by @kulikgroup.bsky.social, @fjduarte.bsky.social, Bingqing Cheng & Matthew Sigman. Looks really interesting & registration is free! #chemsky www.uni-muenster.de/Chemie.oc/gl...

submitted 49 days ago • 1 comment

Hi, #compchem people! I would like to do some Markov state analysis for my MD simulations. What are the software tools people use for this these days? I used to use HTMD or PyEmma, but neither of these has been updated in years and they are a bit difficult […] [Original post on mastodontti.fi]

submitted 52 days ago • 3 comments

Another interesting data set for kinases: Kinase-Bench, a benchmark data set designed to improve selectivity and efficacy in virtual screening of kinase inhibitors. #compchem pubs.acs.org/doi/10.1021/...

submitted 49 days ago • 0 comments

BIFOLD Talk: Making data more accessible with LLMs. Speaker: Gerardo Vitagliano, Data Systems Group of MIT CSAIL. Join us in Berlin. January 14, 2025. 10 AM. www.bifold.berlin/news-events/...

submitted 50 days ago • 0 comments