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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 ...
Note that, for the case of ligands (contrary to proteins, as described above), their structures are most commonly not superimposed prior to the calculation of the RMSD. RMSD is also one of several metrics that have been proposed for quantifying evolutionary similarity between proteins, as well as the quality of sequence alignments.
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}}}
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:
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).
It is common to use idealized models in physics to simplify things. Massless ropes, point particles, ideal gases and the particle in a box are among the many simplified models used in physics. The laws of physics are represented with simple equations such as Newton's laws, Maxwell's equations and the Schrödinger equation. These laws are a ...
The data set [90, 100, 110] has more variability. Its standard deviation is 10 and its average is 100, giving the coefficient of variation as 10 / 100 = 0.1; The data set [1, 5, 6, 8, 10, 40, 65, 88] has still more variability. Its standard deviation is 32.9 and its average is 27.9, giving a coefficient of variation of 32.9 / 27.9 = 1.18
A molecular dynamics simulation requires the definition of a potential function, or a description of the terms by which the particles in the simulation will interact. In chemistry and biology this is usually referred to as a force field and in materials physics as an interatomic potential.