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Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures
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Measured effects reported in the paper
| What was changed | Where | Measured | Effect |
|---|---|---|---|
| DiffAb diffusion co-design vs RAbD | CDR design · CDR-H3 co-design | AAR: 22.14% -> 26.78% | Helped |
| DiffAb vs RAbD | CDR design · CDR-H2 co-design | IMP: 53.50% -> 29.84% | Hurt |
| DiffAb vs RAbD | CDR design · CDR-H3 co-design | IMP: 23.25% -> 23.63% | No clear effect |
| DiffAb vs FixBB | fix-backbone sequence design · CDR-H3 | AAR: 30.74% -> 59.48% | Helped |
| partial diffusion optimization with t=4 instead of de novo (ablation) | DiffAb · CDR-H3 optimization | SeqID to original: 26.78% -> 91.16% | Helped |
| increase optimization steps t from 4 to 64 (ablation) | DiffAb · CDR-H3 optimization | IMP: 23.29% -> 15.47% | Hurt |
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