iiinova — where your digital self keeps evolving

Reposted by Alberto Perez

acscomp.bsky.social @acscomp.bsky.social · 22/07/2025

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 :)

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Reposted by Alberto Perez

Pedro Beltrao @pedrobeltrao.bsky.social · 22/07/2025

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".

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Reposted by Alberto Perez

acscomp.bsky.social @acscomp.bsky.social · 13/03/2025

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

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acscomp.bsky.social @acscomp.bsky.social · 23/03/2025

🧪📅 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

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Reposted by Alberto Perez

acscomp.bsky.social @acscomp.bsky.social · 23/03/2025

🚨 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...

forms.gle

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Alberto Perez @perezlab.bsky.social · 28/02/2025

It was great to show how we combine AI, molecular simulations, and experiments to understand the BET interactome at the Sanibel symposium! #compchem

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Alberto Perez @perezlab.bsky.social · 09/02/2025

🎉 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

pubs.acs.org

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Ardem Patapoutian @ardemp.bskyverified.social · 03/01/2025

Can’t get enough of this: ants vs humans!

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Reposted by Alberto Perez

Teif lab @teiflab.bsky.social · 28/12/2024

Nucleosome spacing can fine-tune higher order chromatin assembly [labs of Rosana Collepardo-Guevara and Michael Rosen] www.biorxiv.org/content/10.1... ▶️phase separation is decided by trade-off between inter- and intramolecular nucleosome stacking, favoured by 10N+5 and 10N bp linkers, respectively

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Reposted by Alberto Perez

Frank Noe @franknoe.bsky.social · 06/12/2024

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...

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Alberto Perez @perezlab.bsky.social · 26/11/2024

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...

explore.jobs.ufl.edu

University of Florida - Details - Post-Doctoral Associate in Computational Chemistry

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Mohammed AlQuraishi @moalquraishi.bsky.social · 20/11/2024

#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

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