• Engineered LRRK2 kinase-domain inhibitor scaffold 20m ago
  • Huntingtin polyQ-tract recognizer 20m ago
  • TDP-43 N-terminal stabilizer 20m ago
  • α-Synuclein aggregation inhibitor 20m ago
  • Anti-Aβ42 binder de novo 20m ago

Details

sequence
MEPLRGLLVLAGLAFWHLRGGWAPGALLLWSLGPSLGRAHSGPASCQLLACSLSTLAALCASCVLWVVSTALLFLLLLSLAALQLWQWGVAPSRQGPA
target_protein
Aβ oligomers
score
0.75
method
rosetta_interface_design
Raw fields (1)
metadata
{
  "method": "rosetta_interface_design",
  "sequence": "MEPLRGLLVLAGLAFWHLRGGWAPGALLLWSLGPSLGRAHSGPASCQLLACSLSTLAALCASCVLWVVSTALLFLLLLSLAALQLWQWGVAPSRQGPA",
  "mutations": [
    "T96S",
    "K186R",
    "A192V",
    "H157Y",
    "R62W"
  ],
  "uniprot_id": "Q9NZC2",
  "plddt_score": 0.87,
  "delta_G_kcal": -1.8,
  "rosetta_energy": -43.8,
  "binding_affinity": {
    "kd_nm": 120,
    "target": "Aβ oligomers"
  },
  "design_rationale": "Interface residue optimization for enhanced Aβ oligomer recognition. Slight stability trade-off accepted for 6.5x binding improvement.",
  "structure_pdb_url": null,
  "predicted_stability": 0.88,
  "binding_improvement_fold": 7.08
}

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