At CrystalsFirst, hit identification begins with our proprietary, high-throughput SmartSoak®-enabled crystallographic fragment screening – the cornerstone of our structure-first discovery approach. SmartSoak® systematically accelerates the access to protein–fragment co-structures by enabling reliable and reproducible soaking of fragment libraries into preformed crystals.
SmartSoak® provides an unparalleled combination of speed and data quality. It generates a large number of high-resolution protein–fragment complex structures, allowing for direct 3D visualization of ligandable binding events. This makes it significantly more informative than traditional screening assays, while also drastically increasing hit rates.
Importantly, our SmartSoak® soaking technology is fully compatible with other biophysical hit identification techniques, including NMR, SPR, GCI, and DEL, HTS. We routinely integrate these orthogonal methods to confirm binding, assess kinetics, and expand hit diversity.
This multimodal capability enables robust hit triage and confidence in hit validity fro
m the outset. With CrystalsFirst’s target enablement expertise and SmartSoak® at the center, we empower clients to discover novel, ligandable hotspots – providing structurally validated starting points for efficient hit identification and subsequent hit-to-lead optimization.