Accurate Prediction of Enzyme Thermostabilization with Rosetta using AlphaFold Ensembles
<p>DT<sub>M</sub> vs DG<sub>f,mut</sub> values for scoring LovD, LipA, <em>p</em>-nitrobenzyl esterase, xylanase A and tryptophan 6-halogenase variants (<em>DTM_vs_DDGf_mut.xlsx</em>).</p> <p>AlphaFold predicted structures in PDB and Pymol sessions formats for top scoring LovD, LovD6, LovD9, LipA WT, LipA 6B, <em>p</em>-nitrobenzyl esterase WT, xylanase A WT and tryptophan 6-halogenase WT decoys (<em>mAF-min_ensembles.zip</em>).</p> <p>Rosetta energies for all calculations (<em>Rosetta_scores.zip</em>).</p>
ShareScore
40/100
Overall dataset sharing score
Score breakdown
These five areas show where the dataset supports — or may limit — practical reuse.
- Stewardship
- 8
- Harmonization
- 4
- Access
- 16
- Reuse readiness
- 8
- Engagement
- 4
Topics
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