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 |