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In Silico Target Discovery

Use in-silico target discovery to identify new drug targets in weeks instead of years—with scalable GPU power on STACKIT and full data sovereignty in a European cloud environment.
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Scientist analyzing microscopic data and DNA sequences on a monitor for drug target discovery in a laboratory.

Challenge: Complex Research Under Cost Pressure

Your R&D teams are under pressure to quickly identify new targets without letting costs spiral out of control. At the same time, demands for data quality, traceability, and intellectual property protection are on the rise. On-premises infrastructures are reaching their limits in terms of capacity and flexibility when it comes to computationally intensive simulations.

Extreme R&D costs

Identifying new drug targets in the laboratory is time-consuming and involves high turnover and a high error rate.

Rechenintensive Simulationen

Digitale Nachbildungen von Molekulardynamik benötigen enorme GPU-Ressourcen, die on-premise nur schwer flexibel bereitstellbar sind.

Focus on IP Protection

Highly sensitive molecular data and algorithms must not be run on foreign servers to prevent industrial espionage.

Measurable Value: Faster Access to Reliable Targets

Significantly shorten lead times in drug discovery by running virtual screenings in parallel and at scale. At the same time, reduce fixed costs by paying only for the computing power you need for your current projects.

  • Drastically reduced lead time: Identify promising targets in weeks instead of years through parallel virtual screenings.
  • Lower fixed costs: Use a pay-per-use model for GPU resources and drastically reduce long-term hardware investments in research.
  • Guaranteed data sovereignty: Keep all research results within the European legal framework and protect them technically against unauthorized access.

Solution: In-silico Target Discovery on STACKIT

In-silico target discovery enables complex molecular dynamics calculations, as well as protein folding and ligand binding simulations, to be performed efficiently in a scalable cloud environment. This is made possible by on-demand NVIDIA GPU instances on STACKIT, which can be flexibly adapted to different project requirements.

Specialized AI models, such as those used in the Praedigo Clinic Decision Support Tool, are operated in an isolated, European cloud environment. This ensures that sensitive molecular data and proprietary algorithms remain protected. In addition, Simulation-as-a-Service enables the rapid deployment of clusters for new research projects without the risk of investing in proprietary hardware.

This creates a powerful infrastructure that supports research teams in running simulations in parallel, using resources efficiently, and focusing more on scientific questions, while the technical provision of computing power occurs flexibly in the background.

Competitive Advantage: Leading-Edge High-Performance Research

Accelerating the early phases of drug discovery strengthens the role of R&D as a key driver in the innovation process. A cloud environment specifically designed to meet the requirements of sensitive industrial research provides the necessary foundation for this. This allows you to make research processes more efficient and translate new insights into reliable results more quickly.

Faster to Market

Shorten the time from hypothesis to validated targets.

Focus on Research

Take the pressure off your internal IT teams and enable research professionals to focus on models, data, and experiments.

Trusted infrastructure

Combine specialized in-silico and AI solutions with a sovereign, European cloud platform that makes industrial espionage more difficult.

Foundation: STACKIT as a sovereign foundation for GPU workloads

In-silico target discovery is based on scalable NVIDIA instances in the STACKIT Cloud, allowing the required GPU power to be flexibly provisioned on demand. STACKIT’s sovereign AI environment enables the operation of specialized models in an isolated, European cloud environment—including clear control over data flows and access rights.

In addition, Simulation-as-a-Service allows for the rapid setup of clusters for protein folding or ligand binding simulations without the need to plan or procure your own high-performance computers.

Graphics processor on server rack

On-Demand GPU Power

Scalable NVIDIA instances on STACKIT enable complex in silico screenings without local capacity constraints.

Glowing digital brain made of circuit board lines representing artificial intelligence

Sovereign AI Environment

Specialized AI models run in an isolated, European cloud environment with clear data sovereignty.

Abstract visualization of flowing blue data streams and light particles for digital simulations and data analysis.

Simulation-as-a-Service

Clusters for protein folding and ligand binding can be deployed quickly and on a project-by-project basis without the risk of hardware investment.

Frequently Asked Questions (FAQ)

Ready for faster target identification and lower fixed R&D costs in your research and development?

   

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