CrystalsFirst delivers comprehensive drug discovery services that transform early-stage programs into promising therapeutic candidates. By combining cutting-edge structural biology, high-performance structural biology, proprietary crystallography technology, and AI-driven design, we provide an integrated target-to-lead platform for small-molecule discovery. Our team specializes in target enablement – making even challenging targets accessible to drug discovery through innovative methods and technologies. We tackle historically “undruggable” proteins by obtaining structural insights and chemical starting points where conventional approaches fall short.
At the core of our offering is the MAGNET platform, which streamlines hit identification and hit-to-lead optimization. This platform combines proprietary SmartSoak® screening with the FragAI generative design engine in an iterative loop, vastly accelerating the discovery timeline. CrystalsFirst’s approach can generate multiple lead series in parallel, delivering high-quality leads. Our integrated process can achieve ~35% faster progress and ~50% higher success in early discovery stages compared to industry norms. Our success-oriented methodology – recognized by industry awards – reduces risk and cost for partners. From assay development and crystallization screening to medicinal chemistry, we position your project for success with a data-driven, efficiency-focused and collaborative ethos.