We believe the next revolution in drug discovery will be driven by realistic simulations of protein targets. We are developing a high-performance platform to generate, analyze, and leverage molecular dynamics simulations at large scale.
Modeling proteins in both atomic detail and at biologically relevant time scales is the key to fully understanding how proteins work and how to design small molecules therapeutics that leverage their dynamic nature. At Redesign, we have developed a cutting-edge computational infrastructure to rapidly and cost-efficiently generate millisecond-scale simulation data for protein targets, even when structural information for the target is limited.
We are improving force-fields based on first principles to capture not only dynamics but also kinetics of protein targets and protein-drug interactions.
We use our physics-based engine to generate synthetic data to train fast and accurate machine learning models to enable the next generation of absolute free energy calculations. Our platform balances quantitative accuracy with massively high throughput in order to operate at industry scale and efficiency. Our approach can dramatically accelerate early-stage drug discovery, especially for emerging and challenging targets with little to no pre-existing binding data.