Abstract
The advancements in computational methods and understanding of protein structure and function has led to significant progress in the design of functional proteins. However, the de novo design of enzymes remains an ongoing challenge due to the difficulty of building complex non-covalent interactions into a preorganized and substrate-accessible active site. Helical bundles are a highly designable and parameterizable protein scaffold that has shown great promise in the design of functional proteins such as metal, cofactor, and some small-molecule binding, but there has been limited success with the design of organocatalysts.
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