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's are empirically determined by diagonalizing the covariance matrix between ; i.e. is the kth orthonormalized eigenvector of the covariance matrix.
PCs were calculated by diagonalizing the covariance matrix generated from long timescale (400 ns) explicit solvent MD simulations.
The essential directions of correlated motions during dynamics were then calculated by diagonalizing the covariance matrix Cij.
Principal components (PCs) were generated by diagonalizing the covariance matrix of Cα positions.
Principal component analysis is a well-established mathematical technique for finding the dominant components of variation in a data set, essentially by diagonalizing the covariance matrix.
By diagonalizing the covariance matrix M of size 3 N × 3 N, 3 N eigenvectors with their corresponding eigenvalues are obtained.
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Gong et al. in [15] improved its robustness to colored noise by diagonalizing the biquaternion covariance matrix.
For legibility reasons, from now on, we only consider the problem of simultaneously diagonalizing the covariance matrices, i.e. the first condition in (7).
Parsing structures, building and diagonalizing the covariance matrix to determine the principal modes of structural variations takes only 38 s on Intel CPU at 3.20 GHz. Figure 1C illustrate the first principal mode of structural variation (PC1; violet arrows) based exclusively on experimental structural dataset for p38.
Principal components (PCs) were also examined by diagonalizing the mass-weighted coordinate covariance matrix after removing net translational and rotational motions relative to the minimized protein structures.
This transformation is given by diagonalizing the unity transfer matrix into a real-Jordan form.
More suggestions(15)
by exploiting the covariance
by employing the covariance
by combining the covariance
by estimating the covariance
by constructing the covariance
by measuring the covariance
by diagonalizing the unity
by computing the covariance
by dividing the covariance
by diagonalizing the biquaternion
by replacing the covariance
by expressing the covariance
by generating the covariance
by diagonalizing the matrix
by maximising the covariance
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