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The electrostatic potential (Eelec) was calculated by using a shift function, while a switching function (between 6.5 and 8.5 Å) was used to define the Van der Waals potential (Evdw).
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All free induction decays were zero-filled, and apodized using a shifted, squared sinusoidal bell function prior to Fourier transformation and subsequent phase-correction.
The values of shifts and widths were obtained by fitting the curves using a Lorentz function [25].
In the first example (Fig. 7), the shift of the cages (Definition 9) that best corresponds to a similarity using a turning function is found.
We present an optimized method for sensor lag correction using a transfer function, based on the optimization of three correction parameters: moving average window size, transfer function setup, and linear time shift.
All spectra were processed with NMRPipe 31) software using a 60° shifted, cosine-squared function in both H and N dimensions and analyzed using NMRView.
Using a binomial fitted function, the children's estimated myopic shift would be 1.94 D at the age of 18 years.
The HMBC data were processed using a p/2 shifted squared sine window function and displayed in magnitude mode.
The data were processed using a p/2 shifted squared sine window function and displayed with CH/CH3 signals phased positive and CH2 signals phased negative.
The HMBC data were processed using a π/2 shifted squared sine window function and displayed in magnitude mode. 1, N-ε-Gua is released from DNA by the alkylpurine-DNA- N-glycosylase in mammalian cells (25, 27).
The data can be viewed from different perspectives using rotation and shift functions.
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