Mark your calendars for the ACS COMP *SUNDAY* Social on August 17, 2025! Free German 🥨&🍻 for COMP members, sponsored by OpenEye + Cadence 💻
RSVP link dropping soon in all ACS COMP members' email inboxes :)
22.07.2025 20:45 — 👍 2 🔁 1 💬 0 📌 1
Unexpectedly, @jurgjn.bsky.social found that running Alphafold3 predictions for protein interactions can yield ipTM scores that are more predictive of true interactions when run in pools of proteins instead of pairwise predictions. Presumably, this reflects some sort of "competition effect".
22.07.2025 14:13 — 👍 87 🔁 30 💬 3 📌 3
I think Sergei @sokrypton.org first pointed to It here
State-of-the-Art Estimation of Protein Model Accuracy Using AlphaFold - PubMed share.google/tiRaXnDkbFrq...
29.07.2025 23:19 — 👍 0 🔁 0 💬 1 📌 0
Mark your calendars for the ACS COMP Saturday Social on March 22, 2025! Free 🌮 & 🍻 for COMP members!
If you didn’t get the RSVP link in your email inbox, DM us with a screenshot of your COMP membership and we’ll shoot you the RSVP link 😁
#ACSSpring2025 #chemsky
13.03.2025 22:42 — 👍 6 🔁 2 💬 1 📌 2
🧪📅 The ACS COMP agenda for #ACSSpring2025 is here! Get ready for cutting-edge sessions in computational chemistry.
Scan the QR code to explore the full schedule 🔍👇
#ACSCOMP #CompChem #Cheminformatics #DrugDiscovery @chemsky.bsky.social
23.03.2025 00:07 — 👍 12 🔁 8 💬 1 📌 0
🚨 PLEASE RT 🚨
Are you a comp chem trainee attending Spring ACS in San Diego? 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/Sq79TJihHnFW...
23.03.2025 00:38 — 👍 7 🔁 8 💬 1 📌 0
It was great to show how we combine AI, molecular simulations, and experiments to understand the BET interactome at the Sanibel symposium! #compchem
28.02.2025 20:33 — 👍 5 🔁 0 💬 0 📌 0
🎉 MELD turns 10! A decade of accelerating molecular dynamics & integrative structural biology. From novel methods to new insights on biomolecules—excited for what’s next! 🧬
🔬 Read more: pubs.acs.org/doi/10.1021/...
@UFChemistry @JCIM #CompChem #MolecularDynamics #StructuralBiology
09.02.2025 17:24 — 👍 3 🔁 0 💬 0 📌 0
Can’t get enough of this: ants vs humans!
03.01.2025 16:11 — 👍 64 🔁 9 💬 4 📌 0
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...
06.12.2024 08:38 — 👍 440 🔁 147 💬 21 📌 29
University of Florida - Details - Post-Doctoral Associate in Computational Chemistry
We are looking for a #CompChem postdoc to implement MELD (Modeling Employing Limited Data) into the AMBER suite of programs and test new applications in integrative modeling. Work with
@adrianroitberg.bsky.social
and me at #UFChemistry! Apply here explore.jobs.ufl.edu/en-us/job/53...
26.11.2024 15:48 — 👍 8 🔁 5 💬 0 📌 0
Florida #HighSchools Join us
#UFChemistry
for the 2025 #UFChemathon!
#UF_CLAS
26.11.2024 15:38 — 👍 1 🔁 0 💬 0 📌 0
#GoodThingsComeToThoseWait Sorry it's taking us a while. Promise that the wait will be well worth it! #OpenFold3 Love all the great work that's already been done #HelixFold3 #Ligo #Chai1 #Protenix #Boltz1
20.11.2024 10:34 — 👍 119 🔁 26 💬 3 📌 2
PhD Student, Collepardo Lab - University of Cambridge. Gates Scholar
🧬 Chromatin & Chromatin Phase Transitions
Assistant Professor & @PrenticeLabUF group leader at @UFChemistry, mass spec enthusiast, soccer player, husband, father, dog lover
https://prentice.chem.ufl.edu
Postdoc at the Collepardo Lab. Understanding chromatin using simulations. I never read the abstract because I don't like spoilers.
AI/ML for Science & DeepTech | PI of the AI for Materials Lab | Prof. of Physics at UAM. https://bravoabad.substack.com/
i'm Bruce Edward Spector. Artist, technologist, OG internet entrepreneur, investor. I founded WebCal in 1997 the first PIM (Personal Information Manager) for the web. My current project, ATTAP (ALL THINGS TO ALL PEOPLE), can be found at http://attap.ai
UK astrophysicist and science communicator working at the Japan Aerospace Exploration Agency (JAXA). Author of 'The Planet Factory' and editor of ‘Planetary Diversity’. Very into space, virtual reality, computer graphics and rescue cats.
Regional Vice President Sales and Support EMEA at Vizgen
Designing chemistry for biology's mysteries.
#chemicalbiology #bioconjugation
PhD student at IISER Bhopal India
Reader in Energy Materials
Ion Transport and Interfaces Group www.jamesadawson.co.uk 🔋🌞🔥🖥
Earth resilience, tipping behavior, nonlinear thinking, stability analysis, climate change, photosynthesis, soil respiration, tree mortality, Fulbright Scholar
Associate professor (PPL) at UAM/IFIMAC
https://members.ifimac.uam.es/lindazotti/
FACCTs is bringing the ORCA quantum chemistry software to industry - promoting the next Quantum leaps in the Pharma, Materials and Chemical Industries.
Visit us at www.faccts.de
Stefanie Robel & Robert Roßbach helping research teams create low stress cultures. We love working with faculty on their systems to take the pain out of the job.
https://glia-leadership.com
A reviews journal from Cell Press. We publish thoughtfully designed Review, Opinion, and short articles covering the breadth of chemistry in an accessible, educational manner.
https://www.cell.com/trends/chemistry/home
PhD student in Computer-Aided Drug Discovery @ Kolb Lab (Uni Marburg) . Passionate about MD and drug discovery.
Working on GPCRs and NTDs.
Views are on my own
Scientist • Chemist 👩🏼🔬 •Software for Pharma/Chemical Industry • Need to know about molecules at the atomic level•Mom of Twins 🇱🇺🇪🇺 #chemsky #compchemsky
