Search results
Results from the WOW.Com Content Network
Typically RMSD is used as a quantitative measure of similarity between two or more protein structures. For example, the CASP protein structure prediction competition uses RMSD as one of its assessments of how well a submitted structure matches the known, target structure. Thus the lower RMSD, the better the model is in comparison to the target ...
A free PyMol plugin easily implementing Kabsch is . (This previously linked to CEalign , but this uses the Combinatorial Extension (CE) algorithm.) VMD uses the Kabsch algorithm for its alignment. The FoldX modeling toolsuite incorporates the Kabsch algorithm to measure RMSD between Wild Type and Mutated protein structures.
In bioinformatics, the root mean square deviation of atomic positions is the measure of the average distance between the atoms of superimposed proteins. In structure based drug design, the RMSD is a measure of the difference between a crystal conformation of the ligand conformation and a docking prediction.
The outputs of a structural alignment are a superposition of the atomic coordinate sets and a minimal root mean square deviation between the structures. The RMSD of two aligned structures indicates their divergence from one another. Structural alignment can be complicated by the existence of multiple protein domains within one or more of the ...
The standard deviation of the observed field () is side a, the standard deviation of the test field () is side b, the centered RMS difference (centered RMS difference is the mean-removed RMS difference, and is equivalent to the standard deviation of the model errors [17]) between the two fields (E′) is side c, and the cosine of the angle ...
The TM-score is intended as a more accurate measure of the global similarity of full-length protein structures than the often used RMSD measure. The TM-score indicates the similarity between two structures by a score between (,], where 1 indicates a perfect match between two structures (thus the higher the better). [1]
The linear relationship between the MSD and time t allows for graphical methods to determine the diffusivity constant D. This is especially useful for rough calculations of the diffusivity in environmental systems. In some atmospheric dispersion models, the relationship between MSD and time t is not linear. Instead, a series of power laws ...
The RMS value of a set of values (or a continuous-time waveform) is the square root of the arithmetic mean of the squares of the values, or the square of the function that defines the continuous waveform.