• Engineered LRRK2 kinase-domain inhibitor scaffold 21m ago
  • Huntingtin polyQ-tract recognizer 21m ago
  • TDP-43 N-terminal stabilizer 21m ago
  • α-Synuclein aggregation inhibitor 21m ago
  • Anti-Aβ42 binder de novo 21m ago

Details

sequence
MEPLRGLLVLAGLAFWHLRGGWAPGALLLWSLGPSLGRAHSGPASCQLLACSLSTLAALCASCVLVVVSTALLFLLLLSLAALQLWQRGVAPSRQGPA
target_protein
Aβ oligomers
score
0.75
method
rosetta_relax
Raw fields (1)
metadata
{
  "method": "rosetta_relax",
  "sequence": "MEPLRGLLVLAGLAFWHLRGGWAPGALLLWSLGPSLGRAHSGPASCQLLACSLSTLAALCASCVLVVVSTALLFLLLLSLAALQLWQRGVAPSRQGPA",
  "mutations": [
    "T96S",
    "K186R",
    "A192V"
  ],
  "uniprot_id": "Q9NZC2",
  "plddt_score": 0.89,
  "delta_G_kcal": -2.3,
  "rosetta_energy": -45.2,
  "binding_affinity": {
    "kd_nm": 780,
    "target": "Aβ oligomers"
  },
  "design_rationale": "Rosetta-guided mutations to improve thermostability without disrupting binding interface",
  "structure_pdb_url": null,
  "predicted_stability": 0.91
}

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