Spontaneous quaternary and tertiary T-R transitions of human hemoglobin in molecular dynamics simulation.
We present molecular dynamics simulations of unliganded human hemoglobin (Hb) A under physiological conditions, starting from the R, R2, and T state. The simulations were carried out with protonated and deprotonated HC3 histidines His(beta)146, and they sum up to a total length of 5.6 micros. We obs...
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Public Library of Science (PLoS)
2010-05-01
|
| Series: | PLoS Computational Biology |
| Online Access: | http://europepmc.org/articles/PMC2865513?pdf=render |