Work

ESM3ΔG monomer improves discrimination of functional, de novo designed protein minibinders

Year: 2026

Type: dataset

Abstract: Dataset for the publication ESM3ΔG monomer improves discrimination of functional, de novo designed protein minibinders. Includes the following: Structures.zip: all of the .pdb and .cif structure files used for prediction of ΔG monomer in our analysis. Complete_design_zummary.csv dG_ensemble: ΔG monomer as calculated by Augmented ESM3ΔG for the given structure. structure: study-assigned name of the given design Binding: a 0/1 binary where 0 denotes an experimentally validated non-binder and 1 denotes an experimentally validated binder in the particular design's study of origin. source: study of origin of the given design Length: design length in amino acids for length-binning.

Source: Zenodo (CERN European Organization for Nuclear Research)

DOI: 10.5281/zenodo.22682183

Authors: Kelly, Vince, Whitehead, Timothy

Institution: University of Colorado Boulder

Language: English

Topic: Protein Structure and Dynamics

Subfield: Molecular Biology

Field: Biochemistry, Genetics and Molecular Biology

Domain: Life Sciences

Open Access status: green

OpenAlex ID: W7212148196

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