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  2. Root mean square deviation - Wikipedia

    en.wikipedia.org/wiki/Root_mean_square_deviation

    In experimental psychology, the RMSD is used to assess how well mathematical or computational models of behavior explain the empirically observed behavior. In GIS, the RMSD is one measure used to assess the accuracy of spatial analysis and remote sensing. In hydrogeology, RMSD and NRMSD are used to evaluate the calibration of a groundwater ...

  3. Root mean square deviation of atomic positions - Wikipedia

    en.wikipedia.org/wiki/Root_mean_square_deviation...

    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 ...

  4. Root mean square - Wikipedia

    en.wikipedia.org/wiki/Root_mean_square

    In the physics of gas molecules, the root-mean-square speed is defined as the square root of the average squared-speed. The RMS speed of an ideal gas is calculated using the following equation: v RMS = 3 R T M {\displaystyle v_{\text{RMS}}={\sqrt {3RT \over M}}}

  5. Mean squared displacement - Wikipedia

    en.wikipedia.org/wiki/Mean_squared_displacement

    The probability density function (PDF) for a particle in one dimension is found by solving the one-dimensional diffusion equation. (This equation states that the position probability density diffuses out over time - this is the method used by Einstein to describe a Brownian particle.

  6. Coefficient of determination - Wikipedia

    en.wikipedia.org/wiki/Coefficient_of_determination

    Ordinary least squares regression of Okun's law.Since the regression line does not miss any of the points by very much, the R 2 of the regression is relatively high.. In statistics, the coefficient of determination, denoted R 2 or r 2 and pronounced "R squared", is the proportion of the variation in the dependent variable that is predictable from the independent variable(s).

  7. Mean squared error - Wikipedia

    en.wikipedia.org/wiki/Mean_squared_error

    The MSE either assesses the quality of a predictor (i.e., a function mapping arbitrary inputs to a sample of values of some random variable), or of an estimator (i.e., a mathematical function mapping a sample of data to an estimate of a parameter of the population from which the data is sampled).

  8. Kabsch algorithm - Wikipedia

    en.wikipedia.org/wiki/Kabsch_algorithm

    Let P and Q be two sets, each containing N points in .We want to find the transformation from Q to P.For simplicity, we will consider the three-dimensional case (=).The sets P and Q can each be represented by N × 3 matrices with the first row containing the coordinates of the first point, the second row containing the coordinates of the second point, and so on, as shown in this matrix:

  9. Molecular dynamics - Wikipedia

    en.wikipedia.org/wiki/Molecular_dynamics

    MD was originally developed in the early 1950s, following earlier successes with Monte Carlo simulations—which themselves date back to the eighteenth century, in the Buffon's needle problem for example—but was popularized for statistical mechanics at Los Alamos National Laboratory by Marshall Rosenbluth and Nicholas Metropolis in what is known today as the Metropolis–Hastings algorithm.