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The simulation of the template network was carried out for 300 seconds.
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In this letter, we address the above questions by performing three-dimensional molecular dynamics (MD) simulations of the template-assisted rotational GLAD of 1D Al columnar structures on Cu substrate.
At the beginning of each simulation run the template unit of the target was biased to a higher activation 0.506 than the distractor unit 0.494.
Computational simulation of the monomer and template pre-arrangement strongly supports our proposed chiral recognition mechanism for the imprinted microspheres.
The methodology is based on the existence of a notion of simulation between the templates for the agents and the template for the environment in the system.
As a simulation progresses the template reflects more and more a biased overlay between the templates determined by the output activation of the template units.
The fit will give the best template using discrete parameters of the template model.
Previous molecular dynamics simulations of this R517A mutant also highlighted the special conformational flexibility of the template strand (Foley et al, 2006).
The lower fidelity of both mutant enzymes correlates with the increased conformational flexibility of the template strand observed in the crystal structures and molecular dynamic simulations.
In summary, we perform MD simulations of the pre-existing template-assisted rotational GLAD to investigate the influence of templates on the formation of Al columnar nanostructures on Cu substrate.
The modular design of the template plasmids allows replacement of genetic parts to construct new templates.
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