Rocío Mercado

1. De novo PROTAC design using graph-based deep generative models
   2022/11/04 by Divya Nori, Nori, Divya, Connor W. Coley +3 · 3 citations
   Biochemistry, Genetics and Molecular Biology · Medicine · #Protein Degradation and Inhibitors #Ubiquitin and proteasome pathways #Peptidase Inhibition and Analysis
2. deCIFer: Crystal Structure Prediction from Powder Diffraction Data using Autoregressive Language Models
   2025/02/04 by Frederik L. Johansen, Ulrik Friis-Jensen, Johansen, Frederik Lizak +9 · 5 citations
   Materials Science · Chemistry · #X-ray Diffraction in Crystallography #Crystallography and molecular interactions #Crystallization and Solubility Studies
3. Boltzmann-Expected Molecular Design with Decoupled Annealing Flows
   2026/07/21 by Selma Moqvist, Richard Beckmann, Ross Irwin +2
   #stat.ML #cs.LG