TECHNOLOGY
Our approach
At QuantX, we bring together a curated team of drug discovery veterans, leveraging our computational technologies to advance small molecules with superior efficacy, tolerability, and convenience for immunologic and inflammatory diseases.
Starting with clinically validated targets of interest, we use an iterative workflow that is powered by our computational platform to accelerate the discovery of drug candidates.
Our computational platform
Protein Dynamics and Ligand Binding Site
We use accelerated long-term molecular dynamics simulation to study protein motion, identifying all potential ligand binding pocket conformations, including low-occurrence higher-energy states that might offer unique opportunities for optimizing potency and selectivity.
Molecular Design
We deploy a suite of technologies to generate virtual small molecules for specific design goals, such as scaffold hopping or ADME property optimization, using a combination of deep learning and cheminformatics.
Simulation and Selection
We apply a series of computational methods to predict the binding affinity of designed molecules and select candidates for synthesis, ranging from accelerated physics/machine learning hybrid models to high-precision free energy perturbation (FEP) and quantum mechanics (QM).
Innovating small molecules for proven targets
We’re advancing a pipeline of small molecule inhibitors against clinically validated inflammation and immunology targets.
