Drug discovery has a scale problem. The complexes that govern signaling, regulation, and disease aren't single proteins, or even tidy pairs. They're sprawling assemblies of 10, 20, even 50+ subunits. The field is forced to sidestep that level of complexity, not for lack of interest, but for lack of tools. And yet, simulating cellular biology requires modeling the complexes and interactions these proteins form, not just individual proteins.
NeoLink,
@proximabio's proteomics platform, has experimentally mapped millions of protein-protein interactions across these higher-order complexes. Predicting their structures at this scale demanded something new.
We built it with
@NVIDIAHealth. By integrating NVIDIA's Fold-CP into our pipeline, we distribute computation for long biological sequences across multiple GPUs, removing the memory bottleneck that kept these complexes out of reach.
New preprint out now with the NVIDIA BioNeMo team:
bit.ly/4rDQnXA