This paper explores the relationship between four centrality measures and the 3D structure of proteins. The central finding, presented in Figure 5, demonstrates that of the four centrality measures evaluated, eigenvector centrality is the least correlated with the protein's 3D shape. This insight has significant implications for understanding protein conformational changes, suggesting that eigenve
In this paper, I was responsible for coding the automated retrieval, cleaning, formatting, and saving of 130 RORgamma structure files from the Protein Data Base (PDB). I also contributed to the writing of the Methods section and overall composition and review of the manuscript prior to submission.
In this paper I use network analysis to identify the physical mechanisms associated with the differential binding energy between LRH-1 structures docked with phospholipids and those docked with small molecules. The approach provides further support for the conclusions derived from my MS thesis and generalizes the usefulness of eigenvector centrality in the analysis of subtle conformational rearran
This image shows the opening dialogue box of a PyMOL plugin I have developed based on several years of work as well as ongoing ideas on how to make network analysis more accessible to the larger audience of structural biologists using PyMOL. The manuscript for publishing the plugin is in preparation.
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