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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]
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.
Another method to describe the motion of a Brownian particle was described by Langevin, now known for its namesake as the Langevin equation.) (,) = (,), given the initial condition (, =) = (); where () is the position of the particle at some given time, is the tagged particle's initial position, and is the diffusion constant with the S.I. units ...
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 input structures, because changes in relative orientation of the domains between two structures to be aligned can artificially inflate the RMSD.
Elon Musk's Department of Government Efficiency is pushing for access to an Internal Revenue Service system that retains the personal tax information of millions of Americans for the ostensible ...
Demonstrators gather near the U.S. Capitol on Presidents' Day to protest against U.S. President Donald Trump's actions during his first weeks in office, in Washington, D.C., U.S., February 17, 2025.
Given the initial positions (e.g., from theoretical knowledge) and velocities (e.g., randomized Gaussian), we can calculate all future (or past) positions and velocities. One frequent source of confusion is the meaning of temperature in MD. Commonly we have experience with macroscopic temperatures, which involve a huge number of particles, but ...
Key Points. Your Social Security filing age helps determine what your monthly benefit looks like. Consider your level of savings and health/lifespan when making your choice.