Activation pathway of Src kinase reveals intermediate states as targets for drug design

This dataset contains following items:
1) MD Simulation trajectories (~23000 Trajectories for a total simulation of ~450 microseconds with frames stores at 100 ps) containing only the protein atoms in lh5 format. The lh5 format files could be converted into any other MD trajectory format using MDTraj program (http://mdtraj.org).
2) 2000 State MSM model of c-src tyrosine kinase built from the MD simulation data.
3) 100 microseconds long trajectory with 20000 frames at an interval of 5 ns generated using the MSM.