Natalia Rojas-Valencia retweeted
Introducing AlphaProtein Novo, a pipeline for de novo enzyme design! In collaboration with @francesarnold's group, we developed AP Novo and used it to get SoTA "novel-scaffold" activity on 2 benchmark reactions and create enzymes to synthesize the pharmaceutical motif piperidine and degrade the environmental toxin DEHP.
Work led by @ZvxyWu @ZiqiLi0513 with teammates @alexechu_ @kelly_ruijie @schulluc @jacobjinkelly @rosaliags @davidla @solserpens @j_reisenbauer, @pengliu_group, Josh, Thomas, Amy, Tristan, Harshnira, and others. It was a joy and privilege to work with you all!
Preprints and code:
biorxiv.org/content/10.64898…
biorxiv.org/content/10.64898…
github.com/google-deepmind/a…
Natalia Rojas-Valencia retweeted
La biología en PDF acaba de morir otra vez.
Un tío hizo una app donde rotas células, aíslas orgánulos y comparas estructuras 3D como un videojuego.
UI: GPT Images 2. Código: Gemini 3.1 Pro.
Los libros de texto ya no mandan.
Natalia Rojas-Valencia retweeted
Berkeley Lab research spans the #quantum landscape, from qubits to computing systems.
7 ways we are advancing the quantum frontier ⬇️
newscenter.lbl.gov/2025/04/2…
#DiscoveryToDelivery @molecularfndry @LBNLcs @ENERGY
Natalia Rojas-Valencia retweeted
#compchem #biophysics Check also the "Behind the paper" blog on the Springer Nature Physics community: communities.springernature.c….
#compchem Happy to see this one out in @NatureComms:
"Histidine 73 methylation coordinates beta-actin plasticity in response to key environmental factors".
nature.com/articles/s41467-0…
We used large scale molecular dynamics simulations coupling adaptive sampling and the AMOEBA polarizable force field to study β-actin. As this work sheds light onto the plasticity of the β-actin isoform, where subtle structural changes can impact actin function, from the monomer to the filament, our results highlighted how the post translational modification of histidine 73 can drastically change the dynamic properties of actin in different forms, from the monomer to the filament. Our work reveals how subtle structural changes, such as a single methylation buried within the core of the protein, could have numerous consequences that affect protein plasticity at different scales.
Stellar work by Adrien Schahl, and great collaboration with @Matth_Chavent , @AJEGOU_IJM and @prenbme.
@Genci_fr @ERC_Research
Natalia Rojas-Valencia retweeted
🚀 TinkerModeller (TKM) simplifies molecular modeling in Tinker @TINKERtoolsMD !
🔹 Easy input file generation & force field conversion
🔹 New EF module for efficient electric field estimation
Making polarizable force fields more accessible! pubs.acs.org/doi/10.1021/acs…
#compchem
Natalia Rojas-Valencia retweeted
☝️Don't forget to register for our #webinar by Elisa Fadda on "Restoring protein Glycosylation with Glycoshape"
🗓️ 11 March 2025, 15:00 CET
Registration ➡️ bit.ly/41l8PKI
#glycan #3dstructure #database
Natalia Rojas-Valencia retweeted
Invitación cordial. Registro libre en us06web.zoom.us/meeting/regi…
#compchem #productosnaturales #quimioinformatica
Natalia Rojas-Valencia retweeted
Come be my colleague! The Department of Biochemistry at Virginia Tech is hiring a tenure-track assistant professor in the area of macromolecular complexes. Please see the job ad linked below.
#chemjobs #biochemjobs #facultychemjobs CC: @Chemjobber
careers.pageuppeople.com/968…