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BSEA views structures obtained from different datasets generated by the bagging technique as nodes in a graph, and adopts graph theory to find the most representative structure.
In order to select the most representative structure for snapshot investigation, we did cluster analysis.
The apelin and MM07-apelin receptor binding poses are shown in Figure 1 taken from the most representative structure of the principal cluster of the MD simulation trajectory.
For State 2, we selected the most representative structure from the unrestrained simulation with a crossing angle based on a structure centered around −5°.
After the MD simulation, the most representative structure was used as the reference model for the preparation of the other two models.
The structures were aligned using all Cα atoms, with the co-ordinates of the most representative structure of the FE65 PTB2 Ser simulation as the reference.
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1T and 2H phases are the most representative structures.
The hexagonal and tetragonal crystal forms of poly(α-n-butyl-β-l-aspartate) and the hexagonal form of the poly(α-methyl-β-l-aspartate) have been chosen for the study as the most representative structures for this family of polymers.
Finally, for each subsequence in each window, we consider the set of l most representative structures obtained by RNAS hape and encode them as disconnected components.
In this article, we design a novel probabilistic cluster structure ensemble framework, referred to as Gaussian mixture model based cluster structure ensemble framework (GMMSE), to identify the most representative cluster structure from the dataset.
Afterwards, GMMSE constructs a graph based on the new data samples and the representative matrix, and searches for the most representative cluster structure.
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Since I tried Ludwig back in 2017, I have been constantly using it in both editing and translation. Ever since, I suggest it to my translators at ProSciEditing.

Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com