Essential dynamics

http://edamontology.org/operation_3891

Compute Essential Dynamics (ED) on a simulation trajectory: an analysis of molecule dynamics using PCA (Principal Component Analysis) applied to the atomic positional fluctuations.

Synonyms: Principal modes, PCA, ED

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operations, edam

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1.22

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Principal Component Analysis (PCA) is a multivariate statistical analysis to obtain collective variables and reduce the dimensionality of the system.

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Subclass of:

Simulation analysis
Nucleic acid structure analysis