Protein structure
Where 3D protein structures come from, how AI predicts them, and the file formats used to share them.
What is protein structure prediction?
Protein structure prediction computes a protein's 3D shape from its amino-acid sequence; AI models such as AlphaFold and OpenFold now reach near-experimental accuracy for many proteins.
What is the Protein Data Bank (PDB)?
The Protein Data Bank is the global, free archive of experimentally determined 3D structures of proteins and nucleic acids, distributed in the PDB and mmCIF file formats.
Put it into practice
Screen, dock and order compounds in one place
Pyxis Discovery combines macrocycle and small-molecule libraries with similarity search, docking and structure prediction in the browser.