Accelerate your discovery with our expert consulting and computational CRO capabilities. We work securely with your data to deliver more than just raw numbers — we provide mechanistic interpretations and actionable insights that drive decision-making and innovation.
Services
Comprehensive computational solutions for your drug discovery needs.
We identify and prepare the most relevant protein structures for your target of interest through comprehensive literature mining, structural database analysis, and expert curation.
We model and optimize compound residence times using our proprietary Koffee technology, providing mechanistic insights to guide lead selection.
We employ in-house docking protocols and rescoring techniques to explore binding poses and predict affinities. Results are validated against available structural, experimental, or literature data.
We run large-scale virtual screening of on-demand libraries such as Enamine and eMolecules to identify promising candidates.
We work with your chemists to computationally explore variations of molecules based on proposed reactions before sending them to synthesis.
We shortlist your compounds prior to synthesis and experimental testing, providing insights into structure-activity and structure-kinetics relationships.
We predict and optimize multiple parameters, including Central Nervous System penetration, kinetics, and membrane permeability.
We help you integrate and adapt our Koffee binding affinity and kinetics technology into your workflows or pipelines, and we tailor to specific use cases.
Proof of Concept
Designed to quickly validate project feasibility and ensure a solid foundation (typical duration of order days). We typically assess whether reliable structural models can be obtained and outline the most promising computational routes forward.
Services Projects
Following validation, we run full-scale computational studies (typical duration from weeks to months). This ranges from hit identification to lead optimization — supporting iterative DMTA cycles and delivering actionable results.
Research & Innovation
Ideal for developing and customizing advanced workflows or large-scale initiatives (typical duration of order months). We work closely with partners to integrate new technologies on-premises or adapt our technology to emerging modalities.