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Keyword: network inversion ×Clear all

2 claims from 1 paper

1. Biochemistry, Genetics and Molecular Biology › Protein Structure and Dynamics

   De novo protein design by inversion of the AlphaFold structure prediction network

   Goverde, Wolf, Khakzad, Rosset and Correia · Protein Science · 2023

   The authors inverted the AlphaFold2 network to design new proteins, found they needed surface fixes, and then found 7 of 39 designs folded and stable in the lab.

   Unchecked2 claims
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   1. Unchecked“Initial design trials resulted in de novo designs with an overrepresentation of hydrophobic residues on the protein surface compared to their natural protein family, requiring additional surface optimization.”
   2. UncheckedAfter surface optimisation, computer checks of the AlphaFold2-based designs showed the correct fold, a water-friendly surface and a tightly packed hydrophobic core.“In silico validation of the designs showed protein structures with the correct fold, a hydrophilic surface and a densely packed hydrophobic core.”