Used Boltz-2 to generate starting docks, followed by EvolveX (FoldX driven physics based sequence design algorithm; https://www.biorxiv.org/content/10.1101/2024.04.22.589762v2) to adapt initial sequence to new epitope. Unfortunately we could only select sequences based on how they scored when running Boltz-2 without MSA and with only 1 diffusion step.
id: small-hawk-birch

Nipah Virus Glycoprotein G
0.81
86.15
--
13.4 kDa
123
id: silver-fox-cypress

Nipah Virus Glycoprotein G
0.78
86.63
--
13.3 kDa
123
id: swift-dove-ice

Nipah Virus Glycoprotein G
0.77
85.68
--
13.3 kDa
123
id: silent-lynx-clay

Nipah Virus Glycoprotein G
0.76
86.63
--
13.3 kDa
123
id: vast-otter-cloud

Nipah Virus Glycoprotein G
0.74
86.62
--
13.1 kDa
120
id: crimson-gecko-pine

Nipah Virus Glycoprotein G
0.74
86.20
--
13.4 kDa
123