Tianyu Lu

The paper develops a system to create binders compatible across HLA allotypes, validated against clinically relevant antigens and demonstrated in CAR T cells.

This paper introduces DiffTopo, a diffusion model for generating novel protein folds, and MirrorTopo, a pipeline to expand known fold space by mirroring native protein topologies.

SLAE learns all-atom protein representations from local atomic neighborhoods, achieving state-of-the-art performance in downstream tasks through transfer learning.

This paper introduces Caliby, a sequence design method that conditions on structural ensembles to improve designability while reducing native sequence recovery.

Protpardelle-1c is a protein structure generative model that improves motif scaffolding and multi-chain complex generation, achieving higher scores and faster sampling than existing models.

MedSAGE improves small molecule drug design by generating synthesizable, drug-like molecules with high predicted affinity and selectivity for therapeutic targets.

This study evaluates generative models of protein structures using SHAPES, revealing undersampling of structural motifs and highlighting the need for better design and prediction methods.