Cecilia Clementi

The paper uses integrative structural biology to model the human Mic60-Mic19 subcomplex and validate its role as a diffusion barrier in mitochondrial crista junctions.

BioEmu, a diffusion model trained on structures, molecular dynamics trajectories, and stability assays, samples protein equilibrium ensembles and folding free energies within ~1 kcal/mol in GPU-hours.

This study identifies DHHC20 interaction partners in T cells, showing it interacts with Gsβ1γ2 and suggests a model for its role in palmitoylation.

The paper identifies immunodominant CD4+ T cell epitopes for SARS-CoV-2 antigens by integrating antigen processing systems with in silico tools, revealing distinct processing mechanisms for different antigens.

This paper introduces Umol, an AI system that predicts protein-ligand complex structures from sequence and ligand SMILES, outperforming existing methods at high accuracy.

EnGens provides a unified framework for generating and analyzing protein conformational ensembles using existing methods and tools.