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

The field of protein design has made remarkable progress over the past decade. Historically,
the low reliability of purely structure-based design methods limited their application, but …

There has been considerable recent progress in designing new proteins using deep-
learning methods,,,,,,,–. Despite this progress, a general deep-learning framework for protein …

Deep-learning methods have revolutionized protein structure prediction and design but are
presently limited to protein-only systems. We describe RoseTTAFold All-Atom (RFAA), which …

De novo enzyme design has sought to introduce active sites and substrate-binding pockets
that are predicted to catalyse a reaction of interest into geometrically compatible native …

Recent advances in machine learning have leveraged evolutionary information in multiple
sequence alignments to predict protein structure. We demonstrate direct inference of full …

Recent breakthroughs in AI coupled with the rapid accumulation of protein sequence and
structure data have radically transformed computational protein design. New methods …

Abstract AlphaFold2 (AF2) is an artificial intelligence (AI) system developed by DeepMind
that can predict three-dimensional (3D) structures of proteins from amino acid sequences …

We consider the problem of predicting a protein sequence from its backbone atom
coordinates. Machine learning approaches to this problem to date have been limited by the …

Natural proteins are highly optimized for function but are often difficult to produce at a scale
suitable for biotechnological applications due to poor expression in heterologous systems …