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[Preprint]. 2023 Apr 24:2022.10.21.513237. Originally published 2022 Oct 24. [Version 2] doi: 10.1101/2022.10.21.513237

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