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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.
In bioinformatics, the root mean square deviation of atomic positions, or simply root mean square deviation (RMSD), is the measure of the average distance between the atoms (usually the backbone atoms) of superimposed molecules. [1]
Physical scientists often use the term root mean square as a synonym for standard deviation when it can be assumed the input signal has zero mean, that is, referring to the square root of the mean squared deviation of a signal from a given baseline or fit. [8] [9] This is useful for electrical engineers in calculating the "AC only" RMS of a signal.
In probability theory and statistics, the coefficient of variation (CV), also known as normalized root-mean-square deviation (NRMSD), percent RMS, and relative standard deviation (RSD), is a standardized measure of dispersion of a probability distribution or frequency distribution.
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 ...
It is useful for point-set registration in computer graphics, and in cheminformatics and bioinformatics to compare molecular and protein structures (in particular, see root-mean-square deviation (bioinformatics)). The algorithm only computes the rotation matrix, but it also requires the computation of a translation vector.
The mean speed , most probable speed v p, and root-mean-square speed can be obtained from properties of the Maxwell distribution. This works well for nearly ideal, monatomic gases like helium, but also for molecular gases like diatomic oxygen.
While the standard deviation does measure how far typical values tend to be from the mean, other measures are available. An example is the mean absolute deviation, which might be considered a more direct measure of average distance, compared to the root mean square distance inherent in the standard deviation.