discovera services
Custom screening programmes, built by the team behind DiscoveraVS
Not every discovery problem fits a standard workflow. Some targets require bespoke model design, tailored docking protocols, specialised chemical filters, or a screening strategy built on limited structural or biological data.
Discovera Services gives you direct access to the team behind DiscoveraVS. We design and run the computational campaign, analyse the results, and deliver a ranked, inspectable shortlist for experimental testing.
what you get
A computational chemistry team, without building one in-house
Discovera Services gives your programme direct access to the scientists behind DiscoveraVS. We design the screening strategy, adapt the methods to the target, run the campaign, and interpret the results.
- Campaign design. Define the screening question before compute is spent: what to include, what to exclude, what to rank, and what evidence should justify progression.
- Target-specific methods. Adapt the workflow when standard screening is not enough, including ligand-based screening, structure-based docking, custom filters, liability assessment and bespoke model development.
- Execution at scale. Run large screening campaigns on Discovera infrastructure, with compound selection, preparation, scoring, docking and ranking handled as one connected project.
- Interpretation and handover. Receive a ranked shortlist with traceable evidence for each candidate and a clear rationale for experimental follow-up.
01 · 2–4 weeks
Drug Repurposing
Prioritise approved and clinical-stage compounds for new disease hypotheses.
Discovera screens approved and clinical-stage compounds against disease-relevant targets, pathways and structural models. We combine virtual screening, molecular docking, off-target liability assessment and literature-driven biological interpretation to return a ranked set of candidates for experimental follow-up.
More infoWhat you get
- Ranked shortlist of 10–30 repurposing candidates with selection rationale.
- Predicted binding poses and target-level prioritisation; optional molecular dynamics assessment when structural stability matters.
- Off-target liability review plus clinical, patent and regulatory context.
- Technical report with reproducible protocols, assumptions, input libraries and ranked outputs.
02 · Scoped per programme
Variant-informed target analysis
Identify genetic variants that may affect target structure, binding-site context or drug-response hypotheses.
Discovera maps disease-relevant and population-distributed variants onto target structures and pathway context, then evaluates how they may alter local protein environment, ligand interactions and experimental priorities. The result is a mechanistic report for programme design, not a clinical prediction.
More infoYour deliverable
- Variant impact report
- Allele-frequency summary where suitable reference data exist
- Binding-site and pathway-context analysis
- Drug-target interaction hypotheses
- Clinical strategy considerations
- Report support package
03 · Defined scope, predictable delivery
Structure-guided discovery consulting
Use structural evidence to prioritise target engagement, selectivity and optimisation decisions.
Discovera evaluates compounds and targets with structure-based CADD, including docking, pose analysis, interaction profiling and comparative structural assessment. The output is a ranked interpretation of binding hypotheses, selectivity risks and structure-guided next steps.
More infoWhat we do
- Target engagement and druggability assessment
- Binding-site setup and docking protocol design
- Pose ranking and interaction analysis
- Selectivity and off-target risk assessment
- Hit prioritisation and structure-guided optimisation
software or services
Run the screen yourself, or bring Discovera into the programme
Run DiscoveraVS yourself when the screening question is defined and your team wants direct control. Work with Discovera Services when the programme needs custom modelling, target-specific method development, large-scale execution, or scientific interpretation by the team behind the platform.
how we work
Work directly with the scientists leading the project
Your project is handled by the scientific team responsible for computational design, execution and interpretation. Technical decisions are made directly with the people doing the work, so the programme moves without unnecessary handoffs.
- A first call establishes whether Discovera Services is the right route. In some cases DiscoveraVS alone is sufficient, and we will say so.
- Before work starts, we provide a written scope with fixed pricing, deliverables, assumptions and timeline.
- Results are delivered with the input files, parameters, intermediate outputs and computational provenance needed for your team to inspect, reproduce and extend the work.
- Reports are written for scientific review and internal governance, with clear rationale, limitations and recommended next steps.
contact
Tell us what you are trying to screen
Tell us the target, compound set, disease question or decision you need to make. We will reply within one working day with whether DiscoveraVS, a service project, or neither is the right route.