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Finally, all cells of grid C are sorted according to their W(n ) value.
To avoid unnecessary calculations, the value of the potential in the target structure is calculated for cells of grid C around the previously defined RNA atom pairs only.
The potential W(n ) is additive for cells of grid C in a distance of 9Å from more than one RNA atom pair.
Since cations cannot overlap with RNA atoms, all cells of grid C that are 'occupied' by RNA atoms, i.e. are within the van der Waals radius of an RNA atom, are excluded from the computation.
For the top-scoring cells of grid C, all cells within a radius corresponding to half of the minimal distance between two cations of the same type (the default value was derived from known RNA structures, see Supplementary Table S1 for PDB codes) are examined.
For each RNA atom pair [ a, b] (of which b is an O or N atom and a is covalently bound to b; see Table 1), the program computes the value in all cells of grid C within the radius of 9Å around the atom b.
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The term N i, j) denotes the set of neighboring grid cells of the grid cell with the coordinates i and j and the term n i, j) represents the number of these neighboring grid cells (i.e., n i, j) = | N i, j)|).
Each agent is randomly positioned in the cells of a grid at the beginning of the game.
The matte developed from growth of patches and its greatest height occurred in more continuously occupied cells of the grid.
The mislabeled proportion of training data for Tianjin and Rosenheim is approximately proportional to the cell size of grid labeling.
The proportion of all mislabeled samples (i.e., ({{p}_{text {mis}}}=frac {1}{K}sum limits _{k=1}^{K}{ 1-{{p}_{k}})})) in the training set as a function of the cell size of grid labeling is illustrated in Fig. 5.
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Justyna Jupowicz-Kozak
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