Developing new protein-based therapies and catalysts involves the challenging task of designing protein binders , or proteins that bind to a target protein or small molecule. The search space for possible amino acid sequence permutations and resulting 3D protein structures for a designed binder is vast, and achieving strong, specific binding requires careful optimization of the interactions between the protein binder and the target.

To address these challenges, NVIDIA has released Proteina-Complexa , a generative model that designs de novo protein binders and enzymes.

In this post, we detail the key technologies behind Proteina-Complexa, explore primary use cases, and highlight the extensive experimental validation of generated protein binders.…