Redefining drug discovery through metastable-state exploration

RxPlorer™ explores the full folding landscape of a target to expose hidden, short-lived and cryptic pockets that do not appear in static crystal structures. By revealing these transient binding opportunities, known as metastates, we can provide clients with high value starting points for small molecule binders, allosteric inhibitors and monovalent degraders across challenging protein targets.

The discovery process uses a unique combination of methods: advanced molecular dynamics, steered accelerated dynamics, free energy calculations and machine learning informed docking of large chemical spaces. This approach allows us to explore and characterise large, complex conformational landscapes and to prioritise pockets with the highest potential for ligand binding and downstream functional impact. The RxPlorer™ platform was developed by the computational scientists at ProsaRx, RxCelerate’s in silico design and discovery arm.