Frank Noé

This study determines the structure of KCNQ1+KCNE1 in closed and open states, revealing structural transitions and dual PIP2 binding that regulate channel gating and IKs function.

This study uses simulations to analyze the conformational changes and elasticity of Piezo proteins in membrane nanodomains under tension, finding a half-maximal reduction of excess area at 3-4 mN/m tension.

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 introduces Cfold, a neural network trained to predict alternative protein conformations, achieving high accuracy for 52% of evaluated nonredundant conformations.

The paper improves protein complex prediction by denoising the MSA profile using gradient descent through AlphaFold-multimer, increasing accuracy on difficult targets.

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

This paper accelerates AlphaFold2-based PPI network prediction by 40x and reduces disk space by 4000x for 1000 proteins using a new protocol.

This paper develops a semi-supervised deep learning pipeline for automated 3D segmentation of cryo-SXT tomograms, validated on mammalian cell ultrastructure and filopodia morphology.

This study shows camostat mesylate inhibits SARS-CoV-2 by blocking TMPRSS2 and its metabolite GBPA also has antiviral activity, suggesting no resistance through TMPRSS2-related proteases.