Project Deliverables

We are developing innovative biosolutions as an in silico service. This may include the design of new molecules and/or the engineering of novel biochemical pathways. Such in silico service can be delivered in various different formats. The standard format is a sequential funneling, where first a target is identified, then a matching biosolution is created and optimized, followed by in silico validation and eventually by a wetlab confirmation.

Biosolution deliverables strongly depend on the domain of application. Medical antibodies and industrial enzymes, for instance, have very different validation, prioritization and selection criteria. Such criteria are important, since key biosolution deliverables are typically listings of validated, prioritized and/or selected lead candidates:

  • Validated through a selection of automated in silico functions;
  • Prioritized according to multiple scientific and commercial objectives;
  • Complemented with detailed biosolution candidate profiles and illustrations;
  • Discussed with key decision makers, scientific and commercial;
  • Open to additional simulations and what-if analyses, if required or requested.

Preferred biosolution candidates are often highly robust and versatile, with bi- or polyspecific binding or reactivity, suitable for broad commercialization. Yet, most candidates are subject to multiple challenging trade-offs, for instance:

  • Molecular stability vs. developability;
  • Target affinity vs. specificity;
  • Solution payload vs. bioavailability.

Such trade-offs can often be satisfactorily resolved. Yet, a fundamental challenge of in silico biosolution design remains: the trade-off between computational tractability vs. biological realism.

How do we collaborate in drug discovery?


As an in silico biosolutions & services provider, we collaborate with our partners predominantly in a project format. Most projects comprise periodical on-site and web-based workshops, work sessions and status presentations. While we are very flexible on project scope and timeline, we do contribute a standardized and validated in silico workflow with scalable and cybersecure computational infrastructure:

  1. We collaborate on target identification:
    • We help identify promising disease targets and favorable market spaces through predictive disease response modeling, chemical and patent space screening, etc.
    • These techniques augment scientific and commercial expertise and proprietary (possibly data-based) insights in the pursued therapeutic segments.
  2. For identified targets, we discover and/or optimize molecules and pathways in silico:
    • Multi-objective biosolution discovery and optimization in silico includes pre-clinical and clinical criteria that facilitate and expedite subsequent project steps;
    • This multiobjective clinical-horizon approach replaces the iterative trial-and-error legacy with repeated target-to-hit, hit-to-lead and lead optimizations.
  3. We facilitate IP protection and patenting of the biosolution developed in silico:
    • Driving strategic patent-mapping, targeting and claiming;
    • Realizing a layered IP strategy, finally extended by in vitro and in vivo insights,
  4. Our partners enjoy a strongly minimized attrition risk profile:
    • For any subsequent experimental validation, for licensing purposes;
    • For clinical development and regulatory approval.
What shortened delivery formats do we offer?


Our in silico development of biosolutions can be shortened to…

  • …pure in silico design of biological of biocompatible molecules;
  • …pure in silico engineering of biochemical or thermochemical pathways;
  • …pure optimization or evolution of existing biosolutions;
  • …pure simulations-as-a-service, involving simulated with molecular dynamics (MD), pharmacokinetics and/or digital twins;
  • …pure predictions-as-a-service, involving criteria (e.g. affinity, specificity, toxicity etc.) predicted for a specified molecule and target;
  • …pure visualizations-as-a-service, with interactive 3D-or-higher visualization of a molecule in action (e.g. binding to target, cleaving target etc.).

Have another format in mind? Feel free to contact us…

What alternative delivery formats do we offer?


In silico biosolutions & services can be delivered in various different formats. Beyond the aforementioned standard format, the alternative formats with varying level of creativity are:

  • Concurrent engineering, in vitro vs. in silico: In vitro and in silico projects for biosolution design are run in parallel, to monitor their strengths and weaknesses. When progress or confidence stalls on either side, the projects may swap interim results or fuse entirely;
  • In silico retrospection: An in silico project root-cause-analyzes an unsuccessfully concluded in vitro project and explains how it can be most efficiently revived, upgraded, redirected and/or have its results recycled;
  • In silico (risk) monitoring: An in silico project monitors and validates an in vitro project and/or anticipates and explains interim and final results, and/or estimates success likelihoods of future working steps, trials or approval;
  • Expert-augmented in silico: In silico technology periodically visualizes interim results and requests human expert input, judgment, triage and consensus or compromise or possibly even supervised training to progress to the next step;
  • Concurrent engineering in silico vs. in silico: Two independent in silico design projects run in parallel. Intermediate and final results are compared, cross-validated, ultimately based on wetlab results;
  • Wetlab digital twin: Ever wondered about the accuracy of your wetlab experimental results, proving or disproving biosolution designed in vitro or in silico? Would it make sense to have a speedy, automated second opinion?  Simulation technology, in particular digital twins, could help…
How do we make your project successful?


“High speed” and “low cost” may be appealing features of in-silico-augmented projects. Yet, these features per se do not yet guarantee project success. The key contributors of in silico technology to successful biosolution design projects are rather:

  1. Flexibility: Many projects are getting started before all specifics are known or ready. In silico workflows allow fast rework of project tasks, if initial specifics and tentative parameters are updated. Once a workflow has been created, the effort of updating project tasks is limited to computational time and cost.
  2. Quantification: With the use of in silico functions, attributes such as “legendary”, “truly amazing”, “highly promising”, “somewhat risky” and “increasingly challenging” need to be further clarified and quantified, using measures, figures and criteria. These improve project communication and avoid misunderstandings.
  3. Transparency: In silico functions help efficiently track, report and present project status and deliverables. Key measures such as proximity-to-project-completion, quality-of-result, number-of-optimizing-iterations-needed and likelihood-of-rework boost project transparency.
  4. Reproducibility: In silico functions, workflows and pipelines should be inherently reproducible and also explainable. Not all in silico methodology is living up to that expectation. Some in silico functions provide no tractability or reproducibility improvement over in vitro and in vivo experimentation.
  5. Horizon: The strongest in silico success contributor for biosolution design may be the size of the chemical search space systematically explored and exploited: 
    • Small molecules obeying the laws of organic chemistry exceed 1060;
    • Mankind has explored in silico less than 1011 of these molecules;
    • Humanity has physically synthesized only about 108 molecules;
    • Less than 104 molecules have ever been approved.
Can we secure your commercial success?


Commercial success has a monetary measure. Completed in silico projects, even with promising quantitative results and impressive scientific insights, provide no guarantees for regulatory approval and commercial success. Yet, first indicators for commercial success can be licensing interest, partnership offers,  investor term sheets or other financial commitments triggered or driven by convincing in silico deliverables.

While in silico deliverables cannot secure such fortunate opportunities, in silico technology can boil down remaining post-project clinical and commercial risk to a minimum.  For instance, by securing…

  • …IP defensibility;
  • …Freedom-to-operate (FOP);
  • …Biological performance at scale;
  • …Manufacturability;
  • …Cost-of-goods feasibility;
  • …Competitive differentiation;
  • …Adoption scenarios;
  • …Market fit;

…for a foreseeable future time horizon.

Some of the items listed above are already challenging and stretching the scope of in silico technology into market and competitor analysis. In silico technology is an important contributor and complement, but certainly not a replacement, for commercial models and therapeutic market and competitor analysis.

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