Article
A statistical approach to the interpretation of molecular dynamics simulations of calmodulin equilibrium dynamics.
Protein science : a publication of the Protein Society - 1 Dec 2005
Likic Vladimir A, Gooley Paul R, Speed Terence P, Strehler Emanuel E
Abstract excerpt
A sample of 35 independent molecular dynamics (MD) simulations of calmodulin (CaM) equilibrium dynamics was prepared from different but equally plausible initial conditions (20 simulations of the wild-type protein and 15 simulations of the D129N mutant). CaM's radius of gyration and backbone mean-square fluctuations were analyzed for the effect of the D129N mutation, and simulations were compared with...
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