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
Code
Calculation of metrics to characterize and compare Ramachandran plots of tri- and tetrapeptides
2026
DOI:
https://doi.org/10.17918/00011326
Abstract
Metrics
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Details
- Title
- Calculation of metrics to characterize and compare Ramachandran plots of tri- and tetrapeptides
- Creators
- Reinhard Schweitzer-Stenner (Author) - Drexel University, Chemistry
- Resource Type
- Code
- Language
- English
- Academic Unit
- Chemistry
- Other Identifier
- 991022173275904721