Science

Published Research

Peer-reviewed publications from our founders and team

PNAS
An Enumerative Algorithm for de Novo Design of Proteins with Diverse Pocket Structures
G. J. Rocklin et al. — large-scale computational design algorithms for pocket diversity.
2020
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Science
Accurate Design Of Co-Assembling Multi-Component Protein Nanomaterials
A. V. Sinclair et al. — protein nanomaterial design at atomic precision.
2015
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ScienceDirect
De Novo Computational Enzyme Design
Review synthesising a decade of methods and results into a clear roadmap for computational enzyme discovery.
2014
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Science
Computational Design of an Enzyme Catalyst for a Stereoselective Bimolecular Diels-Alder Reaction
J. B. Siegel et al. — extended computational enzyme design to complex multi-substrate chemistry and industrial-grade selectivity.
2010
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Nature
Kemp Elimination Catalysts By Computational Enzyme Design
D. Rothlisberger et al.; D. Baker laboratory — showed that enzymes could be designed from first principles to catalyze reactions not found in nature.
2008
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Science
De Novo Computational Design of Retro-Aldol Enzymes
L. Jiang et al.; University of Washington & collaborators — end-to-end computational design of a new enzyme fold and active site, validating the design-build-test loop.
2008
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An Enumerative Algorithm for de Novo Design of Proteins with Diverse Pocket Structures