Protein Dynamics
n Dynamics of Hemoglobin (Example)
n 50 Days of Processing on 16 Processors
(800 CPU Days)
n Key
q White – Heme Groups
q Red – Phe97
q Red – Oxygen (in the subunit at bottom)
q Green – His 69 and 101
q Blue – Tyr 72
q Cyan (Ball) – Water Molecules
q Yellow – Helix E/F
n Interest
q Flip of the Phe97 ring at top
q Water movement around Phe97
q Heme-heme relative movement