The exceptionally rapid development of highly flexible, reusable artificial intelligence (AI)
models is likely to usher in newfound capabilities in medicine. We propose a new paradigm …

Many proteins exert their function by switching among different structures. Knowing the
conformational ensembles affiliated with these states is critical to elucidate key mechanistic …

The ability to computationally generate novel yet physically foldable protein structures could
lead to new biological discoveries and new treatments targeting yet incurable diseases …

A popular approach to protein design is to combine a generative model with a discriminative
model for conditional sampling. The generative model samples plausible sequences while …

Recently it has become possible to de novo design high affinity protein binding proteins from
target structural information alone. There is, however, considerable room for improvement as …

Score-based generative models (SGMs) are a powerful class of generative models that
exhibit remarkable empirical performance. Score-based generative modelling (SGM) …

The design of novel protein structures remains a challenge in protein engineering for
applications across biomedicine and chemistry. In this line of work, a diffusion model over …

We introduce AbDiffuser, an equivariant and physics-informed diffusion model for the joint
generation of antibody 3D structures and sequences. AbDiffuser is built on top of a new …

Biocatalysis harnesses enzymes to make valuable products. This green technology is used
in countless applications from bench scale to industrial production and allows practitioners …

Due to their high target specificity and binding affinity, therapeutic antibodies are currently
the largest class of biotherapeutics. The traditional largely empirical antibody development …