Frédéric Poitevin

Conformational flexibility of soybean lipoxygenase is coupled to crystal solvent content in serial crystallography

This study determines two distinct structures of soybean lipoxygenase-1 from a single experiment, showing that conformational flexibility is influenced by crystal solvent content.

Unsupervised learning of structural variability in cryo-EM data using normal mode analysis of deformable atomic models

The paper introduces an unsupervised method to analyze structural variability in cryo-EM data by deforming atomic models using normal mode analysis directly against 2D data, improving accuracy and interpretability.

CryoDRGN-AI: Neural ab initio reconstruction of challenging cryo-EM and cryo-ET datasets

The paper introduces cryoDRGN-AI, a method for ab initio 3D reconstruction of cryo-EM and cryo-ET datasets, revealing new conformational states and unresolved motions.

PDBCleanV2: A Python Library for Generating Consistent Structure Datasets

PDBCleanV2 generates consistent structure datasets by standardizing labeling, chain names, and numbering for protein structures.

Towards Interpretable Cryo-EM: Disentangling Latent Spaces of Molecular Conformations

This paper frames the challenge of interpreting cryo-EM latent spaces as an Independent Component Analysis problem, aiming to develop identifiable models for conformational landscapes.

Case Study of High-Throughput Drug Screening and Remote Data Collection for SARS-CoV-2 Main Protease by Using Serial Femtosecond X-ray Crystallography

This study demonstrates a high-throughput drug screening protocol using serial femtosecond X-ray crystallography for SARS-CoV-2 main protease, achieving 120 images/second with a new detector.

MorphOT: Transport-based interpolation between EM maps with UCSF ChimeraX

MorphOT interpolates between EM maps using optimal transport to generate morphing trajectories, avoiding blending by displacing densities.