The Protein Binding Atlas leverages the world-class computing power of Lawrence Livermore National Laboratory and machine learning algorithms for protein-molecule binding predictions to refine and accelerate candidate drug selection for clinical development and advanced drug discovery. 

Search Proteome Structures

Search over 12,000 high-quality 3-D single protein structures and predicted multi-protein structures for specific functions.

Search Compound Library

Search over 2 million small molecule compounds and their properties, including the Broad, ChEMBL, marine and foodome groups.

Search Compound to Protein
Binding Predictions

Search millions of predicted compounds bound to protein structures as co-complex 3D structures.