Computational design of enzymes for chosen chemical reactions
Design enzymes from scratch that catalyse a chosen benign chemical transformation with natural-enzyme efficiency, and predict activity well enough that most designs work.
Each problem states how progress is verified and what counts as a contribution. Besides the problems curated here, the catalogue includes open conjectures from Formal Conjectures (with Lean statements), optimization constants and the AlphaEvolve problems. Know one that belongs here? Propose a problem.
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Design enzymes from scratch that catalyse a chosen benign chemical transformation with natural-enzyme efficiency, and predict activity well enough that most designs work.
Assign biological function to the genes of the minimal synthetic cell JCVI-syn3A that are still uncharacterised, several of which are essential for growth.
Go beyond single-structure prediction — predict the alternative conformations and equilibrium populations that proteins actually adopt, and validate against public simulation and experimental data.
Predict three-dimensional RNA structures from sequence with accuracy comparable to protein structure prediction, including targets for which no structural template exists.