Nonequilibrium dynamics simulations of nitric oxide release: Comparative study of nitrophorin and myoglobin

Authors :: Kondrashov, Dmitry A.
Montfort, William R.
Source :: Journal of Physical Chemistry B. August 9, 2007, Vol. 111 Issue 31, p9244, 9 p.
Publication Year :: 2007
Abstract: The results from the molecular dynamics simulations of nitrophorin 4 (NP4) at pH 5 and pH 7, modeled by selective deprotonation of acidic groups reveal that release rate of diatomic molecules from heme proteins could be varied by several orders of magnitude through modest adjustments in geminate rebinding and gating behavior.

Subjects :: Nitric oxide -- Chemical properties
Molecular dynamics -- Analysis
Hemoproteins -- Research
Chemicals, plastics and rubber industries

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