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As a proof of concept we have used a simple fitting procedure as it is least squares, although other more complex fitting procedures may be easily included.
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The data shown in Fig. 2e were extracted from fits to the specular rod data shown in Fig. 2d, using a fitting procedure based on simple structural models65 (Supplementary Fig. 10).
The fitting procedure used was simple grid search, i.e., we systematically calculated goodness of fit at each point of a lattice in parameter space.
The fitting procedure starts by fitting the exponential model with only one parameter, which can be calculated directly and then uses the parameter estimates of simpler models as starting points for fitting more complex models.
First, α = αst was estimated through a fitting procedure of results by steady-state MD simulations and a simple one-dimensional continuous model.
The exponential fitting function provides a means to statistically and mathematically determine the best fit for the binding between Aβ and the membranes, and provides a more sophisticated fitting procedure that can distinguish curves that do not follow the simple bimolecular binding.
The above linear fitting procedure is very robust compared to the multivariable curve fitting procedure.
To improve the fitting efficiency and accuracy, the fitting procedure is divided into two stages, rough fitting and final fitting.
Our simple but effective approach uses less than five distance calculations per base-pair while 3DNA employs a least square fitting procedure to obtain a reference frame for each base followed by comparing six geometrical parameters from two reference frames for a pair of bases.
This shift was taken into consideration in the fitting procedure.
A fitting procedure was employed to obtain the kinetic parameters.
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