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Table 2 Protein structural data used for FoldX simulations

From: Bayesian optimization with evolutionary and structure-based regularization for directed protein evolution

Protein

PDB ID

Experiment type

Resolution (Å)

Binding partner?

GB1

2GB1

Solution NMR

NA

No

BRCA1 RING Domain

1JM7

Solution NMR

NA

Yes

Spike PBR Domain

6M0J

X-ray diffraction

2.45

Yes

  1. Binding partner refers to whether or not the structure includes the protein in complex with its binding partner
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Algorithms for Molecular Biology

ISSN: 1748-7188