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De Novo Design Platform

Start with the Target. Design New Antibodies.

Explore epitope-targeted de novo antibody design through computational structure generation, sequence redesign and complex evaluation. De novo design starts without an existing antibody lead.

A binder on its target

Binder navy, its CDR3 region gold, target sand, interface coral. Drag to rotate; press an i for a term. Structure: PDB 3OGO (RCSB PDB), a single-domain nanobody on green fluorescent protein. Real coordinates of an experimentally determined complex, not a designed molecule.

The IndiskaAI de novo design workflow

From target to candidate review

Three computational stages, with project framing before and after them. Scroll to follow each one; the picture keeps pace.

  1. 1. Define the target
  2. 2. Generate candidates
  3. 3. Redesign positions
  4. 4. Predict the complex
  5. 5. Compare and hand off
  6. Solid: computational · dashed: project framing
  1. Stage 1Project framing

    Define the target

    Agree what the binder should engage, and in which format.

    • In: target, region of interest, format
    • Method: project framing, not an automated step
    • Out: a defined design task

    Limit. Framing the task does not show that a binder can be designed against this surface.

    Region of interest

    Real target coordinates (green fluorescent protein, PDB 3OGO), shown with its binder hidden. The three regions are an even split of its surface, drawn to show how a region is chosen; they are not computed epitopes.

  2. Stage 2Computational

    Generate candidates

    Propose candidate binder backbones against the chosen region.

    • In: target structure and design objective
    • Method: structure-guided generative design (hallucination-based)
    • Out: candidate backbones with proposed sequences

    Limit. A search for structures that look plausible to a prediction network, not a binding assay.

    A real single-domain binder backbone (PDB 3OGO, chain G), shown on its own as an example of what a candidate backbone looks like. Nothing here was generated, and a project proposes several, each different.

  3. Stage 3Computational

    Redesign positions

    Re-propose selected positions on a fixed backbone.

    • In: candidate backbones
    • Method: antibody-aware inverse folding
    • Out: redesigned candidate sequences

    Limit. Does not guarantee a candidate passes the next stage.

    Schematic. Positions are numbered, not named: no amino acid appears, so nothing here can be mistaken for a real design. Which positions are chosen is set per project, commonly in the CDR loops and near the interface.

  4. Stage 4Computational

    Predict the complex

    Check whether a candidate and the target look structurally compatible.

    • In: redesigned sequences and the target
    • Method: complex structure prediction with interface confidence
    • Out: predicted complexes, each with its confidence

    Limit. Confidence is not affinity, specificity or function. Those need assays such as SPR, BLI or ELISA.

    A deposited complex (PDB 3OGO, a single-domain binder on its target) standing in for what a predicted complex looks like; no prediction was run for this view. In a project, the dashed contacts would be predicted. Confidence is the model’s own statement of how sure it is about the placement, and is not a measure of binding.

  5. Stage 5Project framing

    Compare and hand off

    Choose what merits review, and name what an assay must answer.

    • In: predicted complexes and the design brief
    • Method: computational review, not a pipeline step
    • Out: comparison files and the open questions

    Limit. There is no single score. A shortlist is not a set of validated binders.

    Illustrative placeholder comparison of three candidates. Press a row to see what would be examined. No values, scores or rankings are shown.
    Illustrative candidateSequencePredicted complexAssay question
    ReviewedReviewedOpen
    ReviewedTo reviewOpen
    To reviewTo reviewOpen
    Press a candidate to see what would be examined for it.

    Illustrative placeholder rows. They are not results, and no number, score or ranking is shown.

What this workflow can and cannot show

Three different things

A designed sequence, a predicted structure and a confirmed binder are not the same, and they are never treated as the same on this page.

  1. 1Produced here

    A designed sequence

    The output of generation and redesign: a sequence proposed to fold into a plausible binder.

  2. 2Produced here

    A predicted structure

    The output of complex prediction: a model of the candidate against the target, with the model's own confidence estimate.

  3. 3Needs your laboratory

    An experimentally confirmed binder

    Only an assay such as SPR, BLI or ELISA can show that a candidate binds. IndiskaAI does not run wet-lab validation unless that is separately confirmed and scoped.

A shortlist is a set of candidates that merit further review, not a set of validated binders. Nothing on this page is a success rate, an affinity, a benchmark or a client result.

Inputs and outputs

From Inputs to Insights

In

Research Inputs

The inputs the workflow needs.

Computation

Scientific Analysis

Three computational stages, described by what they do.

Out

Research Outputs

Press an item to read it.

Every item is within agreed scope. A project can return no candidates that pass its filters.

Computational outputs support prioritisation. They do not prove binding, specificity, potency, safety or developability, and experimental validation is still required.

Have a target or epitope in mind?

Tell us about your target and what you want to engage, and we will discuss whether and how this workflow fits.