Suitable for multiple target classes: kinases, GPCRs, ion channels, enzymes
Quantum Lens
Drug Discovery Service
Kinetic-Driven Potency: Modelling binding as a dynamic reaction to identify compounds with superior residence time and potency.
Structural Bias Elimination: Automatically identifying link-orbitals via DMET to only include the orbitals that contribute to the bonding process - more efficient calculations.
Site-Specific Selectivity: Tuning warhead reactivity via Fukui Indices to prevent off-target bonding and reduce systemic toxicity.
Validated Covalent Engagement: Distinguishing true chemical bonds from non-specific proximity using Mayer Bond Orders to gain a quantitative measure of covalency.
Predictive Inactivation Rates: Leveraging Two-Body Correlators for understanding how the covalent bond forms.
Electronic Affinity Mapping: Capturing sub-atomic "entanglement" to find potency drivers that standard docking and FEP consistently overlook.
The Transition State Design Platform
Enzyme Inhibitors inspired by enzyme function for exquisite selectivity and potency
Transition State Informed Lead Selectivity: Creating unique "quantum fingerprints" of the transition state to achieve world-class selectivity across highly homologous isoforms and mutants.
Generative Drug-Like Innovation: Translating complex transition-state insights into practical, low-molecular-weight leads that medicinal chemists actually want to synthesise.
Electronic Context Mapping: Factoring in sub-atomic entanglement and local environments to predict binding affinity where standard forcefields fail.
High-Velocity TS-Design: Streamlining transition-state workflows to deliver high-resolution, physics-first results in months, significantly accelerating drug-like transition-state inhibitor design.
The Quantum Lens
Suitable for multiple target classes and modalities: kinases, GPCRs, ion channels, enzymes, glues, peptides and PPI’s
FMO-Driven Affinity Mapping: Deconstructing binding scores into residue-specific electronic contributions to identify precise, actionable potency drivers.
Entanglement-Based Target Mapping: Measuring complex electronic environments to identify non-obvious binding interactions for high-affinity optimisation.
Intelligence-Driven Molecular Generation: Translating deep quantum insights into novel, synthesisable chemical structures optimised for superior pharmacological performance in novel IP space.
Expanding Multi-Scale Physics Architecture: Deploying and expanding a specialised suite of advanced technologies to resolve confounding variables in the most challenging targets.