Enabling rational drug discovery
Bridging the gap between
simulations and reality
FAST
Free Energy surfaces are the holy grail of understanding proteins, giving a complete oversight of all conformational and functional states, cryptic pockets and relative populations in response to e.g. ligand binding.
Through tireless algorithmic developments and adjustment to state-of-the-art hardware development, we can now estimate Free Energy surfaces of binding or full conformational change in less than a week. This feature has unlocked the capability for both broad and focused studies without the need for limiting the scope.
DETAILED
We work with a bottom-up approach, starting from the atomistic scale to explain biological phenomena. By utilizing our advanced AI-fueled sampling algorithms, we can retain the atomistic detail necessary for rational drug design, while still predicting large-scale experimental observables.
See what we offer for more information on which details we can deliver and how we can use them!
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ACCURATE
By combining evolutionary and structural information through AI, we can iteratively improve our estimates of binding, efficiency or other functionally coupled observables. Through this procedure, we have achieved staggering accuracy and agreement with experiments, bridging the gap between simulations and reality.
Our results have been published in peer-reviewed journals as a certificate of excellence. See our technology for more information on how we have achieved such results!