Alberto Perez
@perezlab.bsky.social
#compchem assistant professor at #UF chemistry. We work on protein-peptide and protein- nucleic acid structure predictions with integrative biology tools.
Reposted by Alberto Perez
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 :)
RSVP link dropping soon in all ACS COMP members' email inboxes :)
July 22, 2025 at 8:45 PM
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 :)
RSVP link dropping soon in all ACS COMP members' email inboxes :)
Reposted by Alberto Perez
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".
July 22, 2025 at 2:13 PM
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".
Reposted by Alberto Perez
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
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
March 13, 2025 at 10:42 PM
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
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
Reposted by Alberto Perez
🧪📅 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
Scan the QR code to explore the full schedule 🔍👇
#ACSCOMP #CompChem #Cheminformatics #DrugDiscovery @chemsky.bsky.social
March 23, 2025 at 12:07 AM
🧪📅 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
Scan the QR code to explore the full schedule 🔍👇
#ACSCOMP #CompChem #Cheminformatics #DrugDiscovery @chemsky.bsky.social
Reposted by Alberto Perez
🚨 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...
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
March 23, 2025 at 12:38 AM
🚨 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...
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...
It was great to show how we combine AI, molecular simulations, and experiments to understand the BET interactome at the Sanibel symposium! #compchem
February 28, 2025 at 8:33 PM
It was great to show how we combine AI, molecular simulations, and experiments to understand the BET interactome at the Sanibel symposium! #compchem
🎉 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
🔬 Read more: pubs.acs.org/doi/10.1021/...
@UFChemistry @JCIM #CompChem #MolecularDynamics #StructuralBiology
https://pubs.acs.org/doi/10.1021/ac…
February 9, 2025 at 5:24 PM
🎉 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
🔬 Read more: pubs.acs.org/doi/10.1021/...
@UFChemistry @JCIM #CompChem #MolecularDynamics #StructuralBiology
Reposted by Alberto Perez
Can’t get enough of this: ants vs humans!
January 3, 2025 at 4:11 PM
Can’t get enough of this: ants vs humans!
Reposted by Alberto Perez
The effects of GLP-1 drug (semaglutide) on the proteome shows broad impact, potential relevance to many diseases beyond obesity
nature.com/articles/s41...
nature.com/articles/s41...
Proteomic changes upon treatment with semaglutide in individuals with obesity - Nature Medicine
Using serum samples collected from participants of the STEP 1 and STEP 2 trials, the authors have uncovered changes to the proteome upon semaglutide treatment, which can shed light on the mechanism of...
nature.com
January 3, 2025 at 4:37 PM
The effects of GLP-1 drug (semaglutide) on the proteome shows broad impact, potential relevance to many diseases beyond obesity
nature.com/articles/s41...
nature.com/articles/s41...
Reposted by Alberto Perez
Ever wanted to predict protein NMR chemical shifts accurately and very very fast ? Great new paper from MIkailya Darrows @mdarrows.bsky.social. chemrxiv.org/engage/chemr...
Comments are welcome !
Comments are welcome !
LEGOLAS: a Machine Learning method for rapid and accurate predictions of protein NMR chemical shifts.
This work introduces LEGOLAS, a fully open source TorchANI-based neural network model designed to predict NMR chemical shifts for protein backbone atoms. LEGOLAS has been designed to be fast, and with...
chemrxiv.org
January 3, 2025 at 5:34 PM
Ever wanted to predict protein NMR chemical shifts accurately and very very fast ? Great new paper from MIkailya Darrows @mdarrows.bsky.social. chemrxiv.org/engage/chemr...
Comments are welcome !
Comments are welcome !
Reposted by Alberto Perez
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
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
December 28, 2024 at 8:13 PM
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
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
Reposted by Alberto Perez
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...
www.biorxiv.org/content/10.1...
December 6, 2024 at 8:39 AM
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...
www.biorxiv.org/content/10.1...
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...
@adrianroitberg.bsky.social
and me at #UFChemistry! Apply here explore.jobs.ufl.edu/en-us/job/53...
University of Florida - Details - Post-Doctoral Associate in Computational Chemistry
explore.jobs.ufl.edu
November 26, 2024 at 3:48 PM
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...
@adrianroitberg.bsky.social
and me at #UFChemistry! Apply here explore.jobs.ufl.edu/en-us/job/53...
November 26, 2024 at 3:38 PM
Reposted by Alberto Perez
#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
November 20, 2024 at 10:34 AM
#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