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After molecular dynamic course at the initial temperature from 273 ~ 673 K.
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molecular dynamic simulations.
c Molecular dynamic model of perfect KSiNWs.
After equilibration, the molecular dynamic runs were 16 ns long.
C The RMSDs of the molecular dynamic simulation systems.
The molecular docking and molecular dynamic calculations have been studied.
To explore the mechanism of molecular transport, molecular dynamic (MD) simulation, as a powerful tool, has been employed.
NAMD with CHARMM 27 force field was used for all minimizations and molecular dynamic simulations [39].
The image was captured using a Molecular Dynamic PhosphorImager Storm 860 and analyzed with ImageQuant software.
Additional structural and molecular dynamic simulation data.
We must, of course, be cautious when using bound AChBP structures as templates for open and closed states of the receptor, but comparisons with nACh receptor structures and molecular dynamic simulations indicate they are reasonably accurate (3, 5, 6, 27).
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