Table 2.
Objectives considered for Pareto selection of candidate sequences, with associated units and weights.
| Objective (gi) | Units | Weight (wi) |
|---|---|---|
| Rosetta Flex ddG, L452R (Delta) | Rosetta Energy Units (REU) | −1.0 |
| Rosetta Flex ddG, BA.1 | REU | −1.0 |
| Rosetta Flex ddG, BA.1.1 | REU | −1.0 |
| Atomistic MD ddG BA.1 | KCal/Mol | −1.5 |
| SFE ddG, BA.1 | REU | −1.5 |
| SFE ddG, BA.1.1 | REU | −1.5 |
| FoldX ddG, L452R (Delta) | KCal/Mol | −0.5 |
| FoldX ddG, BA.1 | KCal/Mol | −0.5 |
| FoldX ddG, BA.1.1 | KCal/Mol | −0.5 |
| FEP stability ddG | KCal/Mol | −0.5 |
| AbBERT score | Arbitrary Units (AU) | 2.0 |