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Calculation of metrics to characterize and compare Ramachandran plots of tri- and tetrapeptides
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Calculation of metrics to characterize and compare Ramachandran plots of tri- and tetrapeptides

Reinhard Schweitzer-Stenner
2026
DOI:
https://doi.org/10.17918/00011326
m
Mesostate_pop_Hellinger_distances_Entropies_GXG-GXYG4.98 kBDownloadView
Code/Script Open Access CC BY-NC-ND V4.0
pdf
REDME_Matlab_Mesostate_pop_Hellinger_distancves_Entropies_GXG-GXYG83.16 kBDownloadView
README Open Access CC BY-NC-ND V4.0
zip
Ramachandran_plots_GXG_GXYG14.85 MBDownloadView
Code/Script Open Access CC BY-NC-ND V4.0

Abstract

Biophysical Chemistry

General description The program employs a variety of metrics to compare Ramachandran plots of the central residues of GXG and GXYG pepIdes (X and Y indicate guest residues) These plots were obtained by a Gaussian analysis of vibraIonal and NMR spectroscopic data. The following metrics were employed: Mesostate populaIons, Hellinger distances, and differences between configuraIonal Gibbs entropies per residue. Details about these metrics and the structure of the program can be inferred from the READMe file

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