SmartSoak® is CrystalsFirst’s patented high-performance crystallographic soaking technology that is revolutionizing how we obtain protein–ligand co-structures. Traditional soaking and co-crystallization rely on trial-and-error with unpredictable outcome; SmartSoak® accelerates this process by an order of magnitude, delivering crystal-ready soaking conditions within 24 hours. By enabling rapid diffusion of ligands into pre-formed crystals under optimized conditions, SmartSoak® generates high-resolution co-structures even for low-solubility compounds or fragile crystals that would be untenable with conventional methods.
The SmartSoak® advantage is evident in its track record: it has been successfully applied to over 40 diverse protein targets, including many deemed “undruggable,” unlocking valuable structural data where other techniques failed. SmartSoak®-enabled crystallographic screens routinely yield hit rates up to 30% for fragment libraries, and the method works for both covalent and non-covalent binders. This protein-agnostic technology provides CrystalsFirst clients a unique edge in early discovery – fast, reliable access to 3D structures that fuel our AI-driven design and medicinal chemistry efforts. By solving two major challenges in parallel – obtaining structures quickly and capturing elusive chemical matter – SmartSoak® enables a true structure-first discovery paradigm, ultimately shortening the path to clinical lead molecules.