Liganx is a free, browser-based platform for mutation-aware molecular docking. We built it so that anyone — academic, clinician, or med-chemist — can dock compounds against wild-type and mutant protein structures side by side, without a local install or a compute cluster.
The Liganx team works at the intersection of computational chemistry, structural biology, and software engineering. Our focus is the problem that motivated the platform: clinically important point mutations — EGFR T790M, BCR-ABL T315I, KRAS G12C, BRAF V600E and dozens more — quietly change how a drug binds, and most docking tools make it tedious to compare wild-type against mutant in a single, reproducible run. Liganx is built around that comparison.
Under the hood, Liganx runs established docking engines — AutoDock Vina (GPU-accelerated), GNINA's CNN-rescored poses, and Boltz-2 ML co-folding — against curated, prepared receptor structures, and layers ADMET property prediction on top. The science is standard; the value is in making mutation-aware molecular docking fast, free, and accessible in a browser. You can read more on the validation page and try it in Studio.
Our blog covers drug targets, specific resistance mutations, ADMET properties, and docking methodology. Because much of this content is medically adjacent, we hold it to a primary-source standard: every post cites the peer-reviewed literature, clinical trial readouts, or FDA documentation it draws on, in a Primary Sources section at the foot of the article. We describe what the evidence shows and avoid inventing drug names, mutation effects, or trial results. Nothing on the blog is medical advice — it is technical material written for researchers who already work in drug discovery.
Questions, corrections, or collaboration ideas are welcome — reach us via the contact page. If you spot an error in a post, tell us and we will fix and re-date it.