Preferred Name

Essential dynamics

Synonyms

Principal modes

ED

PCA

Definitions

Compute Essential Dynamics (ED) on a simulation trajectory: an analysis of molecule dynamics using PCA (Principal Component Analysis) applied to the atomic positional fluctuations. Principal Component Analysis (PCA) is a multivariate statistical analysis to obtain collective variables and reduce the dimensionality of the system.

ID

http://edamontology.org/operation_3891

comment

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

Created in

1.22

hasDefinition

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

hasExactSynonym

Principal modes

ED

PCA

inSubset

http://edamontology.org/bio

http://edamontology.org/operations

label

Essential dynamics

prefixIRI

operation_3891

prefLabel

Essential dynamics

subClassOf

http://edamontology.org/operation_0244

http://edamontology.org/operation_2481

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