Simón Poblete

This study uses computational models to analyze the topology of PCV2 viral genomes, revealing that different internal arrangements can produce similar external structures but vary in stability and function.

This study uses machine learning potentials to explore RNA dimer conformations, showing improved accuracy over classical models.

The paper introduces AbAgym, a curated dataset of 335k mutations in antibody-antigen complexes, and evaluates models for predicting binding affinity changes.

This paper evaluates blind predictions of dynamic water and ion ensembles around RNA using cryo-EM densities from CASP16, finding that molecular dynamics approaches perform best.

The paper introduces a multiscale pipeline using SAXS data and computational models to determine RNA 3D structures from low-resolution to atomistic precision.