Alejandro Poveda
@alejo_fractal
Postdoctoral Research at the Goethe-Universität Frankfurt - Ph.D. in Bioinformatics - Music lover - Colombian 🇨🇴
I’m thrilled to share that my latest research paper has been published in PNAS! 📄 pnas.org/doi/10.1073/pn… A big thank you to all the co-authors 🙏 @RamBhaskara4 @KateLohachova @iDikic2 @HummerLab. Thanks to @IBC2_GU @BMLS @EnableFrankfurt @sfb1177 @dfg_public
New evidence based on ancient DNA is helping illuminate the origins of Attila’s Huns and why they began pillaging in the first place. scim.ag/3QEwHmd
Our study where we develop EvoBind2: Design of linear and cyclic peptide binders from protein sequence information is now published! nature.com/articles/s4200…
PaCS-Q: Python Toolkits for Path Sampling in MD and QM/MM MD Simulation | JCIM pubs.acs.org/doi/10.1021/ac… @JCIM_JCTC #comchem #combiol #qmmm
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…
"Education isn't something you can finish." - Isaac Asimov (1920 - 1992)
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 ✍️
Paul Dirac's Ph.D thesis was not typed. It was handwritten and submitted in 1926. The title of the thesis was simply "Quantum Mechanics". Dirac is one of the founding fathers of Quantum Mechanics.
In the past, Neanderthals were thought to live in small, highly mobile groups of about 20 individuals at most. But a study from 2023 suggests far bigger groups—big enough to slaughter and process an entire elephant. #ScienceMagArchives scim.ag/41vLaXU