A breakthrough in physics informed drug discovery
At the very core of our physics driven drug discovery approach lies Atlas, our in silico drug discovery lab. ATLAS benefits from over 30 years of R&D and is based on the latest advance in quantum physics & chemistry, molecular dynamics, AI and HPC.
With, Atlas, we are able to create high resolution digital twins of any target and molecule. We run very long all-atom simulations with unprecedented accuracy thanks to proprietary polarizable force fields models to explore the conformational changes of a target and identify novel pockets. This gives us unique insights on the structure – activity relationship.
Building upon this knowledge, we are able to design better molecules much faster. We reduce the need for intermediate chemical synthesis and validation by performing absolute free energy of binding calculations. We also build in safety and druggability earlier and we reduce the overall cycle time.