Alejandro Poveda @alejo_fractal
Postdoctoral Research at the Goethe-Universität Frankfurt - Ph.D. in Bioinformatics - Music lover - Colombian 🇨🇴 researchgate.net/profile/Sergio… Frankfurt am Main, Germany Joined September 2016-
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Code to complex: AI-driven de novo binder design 1. This review by Fox et al. explores how AI has transformed de novo protein binder design, making it possible to rapidly generate high-affinity binders for diverse targets with improved efficiency and reduced resource…
Martini on top of the world ! TS2CG as a Membrane Builder | Journal of Chemical Theory and Computation pubs.acs.org/doi/10.1021/ac…
#ATENCIÓN Juez declara a Álvaro Uribe de manipulación de testigos. Esta noticia está en desarrollo.
Our study where we develop EvoBind2: Design of linear and cyclic peptide binders from protein sequence information is now published! nature.com/articles/s4200…
Ah, all the artifacts were fixed by replacing one '<' with '<=', duh. It all works now, particle life completely on WebGPU! There are 2^18 (~260k) particles here; my PC struggles after about half a million particles. Will probably try to optimize it a bit later.
Vina-CUDA: An Efficient Program with in-Depth Utilization of GPU to Accelerate Molecular Docking #Docking pubs.acs.org/doi/10.1021/ac… #JCIM Vol65 Issue10 #ApplicationNote
The ChimeraX 1.10 release candidate and daily builds can predict small complexes of proteins, nucleic acids and small molecules using Boltz on your Mac, Windows or Linux computer. rbvi.ucsf.edu/chimerax/data/…
I’m excited, relieved, and honored to announce that my paper describing non-canonical mitotic mechanisms in the early mouse embryo is out in @ScienceMagazine ! (link at end of 🧵)
🧵Google DeepMind just dropped a bombshell: An AI agent that autonomously writes algorithms better than humans. It’s called AlphaEvolve, and it could completely change how we build software and solve problems. Here’s why this changes everything👇
The Open Molecules 2025 dataset is out! With >100M gold-standard ωB97M-V/def2-TZVPD calcs of biomolecules, electrolytes, metal complexes, and small molecules, OMol is by far the largest, most diverse, and highest quality molecular DFT dataset for training MLIPs ever made 1/N
GoGoGoGoGoGoGoMartini3 now finally published! nature.com/articles/s4146…
It's like ChatGPT, but for proteins 😍 See RFdiffusion in action. Instead of writing essays, this AI tool builds new protein structures from scratch, or based on your prompts (like a desired shape or motif). It's powered by a deep learning technique called diffusion models,…
Excited to share our pre-print on the molecular architecture of heterochromatin in human cells🧬🔬 w/ @jpkreysing, Johannes Betz,Turoňová lab, @MarinaLusic, Hummer lab, @Beck_Laboratory, @MPIbp 🔗 Preprint here: doi.org/10.1101/2025.0…
MartiniGlass: a Tool for Enabling Visualization of Coarse-Grained Martini Topologies | Journal of Chemical Information and Modeling pubs.acs.org/doi/10.1021/ac…
One of the best starts to a Quantum Mechanics lecture ✍️
Howl's Moving Castle model ✨

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