Linna An

Modeling protein-small molecule conformational ensembles with PLACER

An atom-level graph neural network that denoises corrupted structures generates small-molecule and protein-ligand conformational ensembles, and its active-site pre-organization metric enriched for more active designed retroaldolases.

Design of Orthogonal Far-Red, Orange and Green Fluorophore-binding Proteins for Multiplex Imaging

The paper designs orthogonal fluorophore-binding proteins using deep learning for multiplex imaging, demonstrating high specificity and utility in labeling and monitoring subcellular processes.

Hallucination of closed repeat proteins containing central pockets

The paper designs closed repeat proteins with central pockets using deep learning and validates them in E. coli, showing structural consistency and potential for small molecule binding.