Virginia Tech Uses Supercomputer To Track Pathways In Myoglobin

[CC-Conrad Clyburn-MedForeSight]

Virginia Tech researchers propose a multi-level computational solution to provide a detailed, complete, atom-level picture of ligand migration in myoglobin. The study is likely to be the first in which molecular dynamics succeeded to directly simulate the ligand migration all the way in and out of the protein at room temperature at atomic resolution.