Overview
What this category covers
A conjugate is a system whose therapeutic index comes from how its parts interact. This category models that system: where to attach, which linker chemistry matches the target biology, how payload hydrophobicity drives aggregation and clearance, what the drug-to-antibody ratio distribution implies, and whether bystander activity is achievable or desirable. The same reasoning is applied to peptide-based conjugates, where clearance and binding-face preservation dominate.
What we deliver
▸Conjugation site assessment with structural and functional consequences modelled
▸Linker and payload combination analysis matched to target internalisation and trafficking
▸Aggregation and hydrophobicity prediction across the DAR range
▸Bystander effect assessment based on payload permeability
▸Peptide–drug conjugate design with attachment scanning and release chemistry selection
Who this is for
▸Teams starting an ADC programme and choosing linker-payload chemistry
▸Groups troubleshooting aggregation, instability or fast clearance in a conjugate
▸Programmes moving to site-specific conjugation from stochastic chemistry
▸Projects designing peptide conjugates for targeted delivery or imaging
How engagements in this category are run
Conjugate work is scoped as a comparison across a design space rather than as the delivery of one construct. We model the conjugation sites, linker chemistries and payload combinations that are compatible with your antibody or peptide and with the target biology, then rank them against the therapeutic objective with the trade-offs stated. Where the deciding factor is one computation cannot resolve — internalisation rate, payload potency in your cells — we identify it and recommend the experiment.
Services
2 computational services in this category
L1
ADC Linker-Payload Design & Optimization
Computational design of ADC linker-payload combinations. Cleavable vs non-cleavable linker selection, payload hydrophobicity/DAR optimization, bystander effect prediction.
Learn MoreL4
Peptide-Drug Conjugate (PDC) Design
Computational design of peptide carriers for targeted drug delivery. Tumor-homing peptide selection, cleavage site engineering, payload coupling chemistry optimization.
Learn MoreIn Practice
What a project in this category looks like
Three shapes we are asked for most often. Scope is always set after a feasibility review, so timelines below are typical rather than quoted.
Choosing linker and payload for a new conjugate programme
The situation
The antibody is chosen and the team must select conjugation chemistry before committing to development.
What we do
Structural assessment of candidate conjugation sites, linker chemistry comparison against target internalisation and trafficking, payload hydrophobicity and aggregation modelling across the DAR range, and bystander assessment from payload permeability.
What you receive
A ranked comparison of five to thirty combinations with the trade-offs stated, site recommendations with structural rationale, and predicted stability and aggregation behaviour.
Typical timeline: 4–8 weeks
Diagnosing aggregation or fast clearance in an existing conjugate
The situation
A conjugate behaves worse than the naked antibody and the cause is unclear.
What we do
Surface and patch analysis on the conjugated model, hydrophobicity accounting across the DAR distribution, site accessibility and local stability review, and comparison against designs that avoid the implicated region.
What you receive
A diagnosis with the contributing factors ranked, and specific design changes — site, linker hydrophilicity, DAR control — that would address them.
Typical timeline: 3–5 weeks
Peptide conjugate for targeted delivery
The situation
A receptor-targeting peptide exists and the team wants a conjugate without losing receptor binding.
What we do
Peptide–receptor complex modelling, attachment position scanning away from the binding face, linker and release chemistry design against the intended mechanism, and whole-conjugate property prediction.
What you receive
Ten to forty conjugate designs fully specified for synthesis, with the predicted effect of each attachment point on binding.
Typical timeline: 4–7 weeks
Questions
Asked before we scope this work
Can you predict whether the conjugate will be efficacious?
No. Efficacy depends on antigen expression, internalisation, trafficking and tumour biology. Computation compares designs on stability, homogeneity and predicted behaviour, which is narrower but genuinely decisive at this stage.
Cleavable or non-cleavable linker?
It depends on whether bystander killing is wanted and on the release mechanism. Heterogeneous tumours often favour cleavable linkers with permeable payloads; highly specific targets may not. We assess your case rather than apply a rule.
Do you perform the conjugation?
No. We design and assess; conjugation chemistry, analytics and testing are performed by your team or a partner.
More
Other service categories
Target Identification & Validation5Virtual Screening (Small Molecule)3Small Molecule Design & Optimization2ADMET & Drug-Likeness Prediction4Molecular Dynamics & Simulation3AIDD — Small Molecule Platform2Structure-Based Drug Design (SBDD)3Bioinformatics & Multi-Omics Analysis11Antibody Design & Engineering (AI)5Peptide & Cyclic Peptide Drug Design4Protein Design & Engineering (AI)4Compound & Biological Library Design3
Bring us the scientific question, not a service code
Share your target, dataset, sequences or objective. We will recommend a scoped computational plan, the expected deliverables, a timeline and the validation options.
Request a Feasibility Review