Researchers use supercomputer to track pathways in myoglobin

Abstract

Some 50 years ago, after decades of effort, John Kendrew determined the structure of the small globular protein, myoglobin, which is responsible for oxygen storage in cells. For this discovery, he shared the Nobel Prize in chemistry with Max Perutz, who did similar work on hemoglobin. But a mystery remained: Exactly what paths does oxygen follow as it moves in and out of myoglobin?