Iff's protein pruning and binding technologies finds the best binding sites on a protein by comparing binding energies at every atom. Not only does this provide strong information for further kinetics modeling, but it also helps in the incorporation of subtler, electromagnetic effects between atoms. This also means that our tool can help complete protein-ligand and large protein-protein models with little setup time, which helps when working on alphacoronoviral proteins and their immune counterparties.
We model atoms on both real quantum devices and large scale cloud infrastructures utilizing CPUs and GPUs. We have written algorithms and workflows around various quantum processing devices and quantum simulators. This gives us flexibility between HPC, QPU, and other resources towards quick results for a fast evolving virus, like SARS-CoV-2.