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MDaRes
View on CRAN: Click
here
Download and install MDaRes package within the R console
Install from CRAN:
install.packages("MDaRes")
Install from Github:
library("remotes")
install_github("cran/MDaRes") Install by package version:
library("remotes")
install_version("MDaRes", "0.0.2") Attach the package and use:
library("MDaRes")
Maintained by
Alessandro Pandini
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[Scholar Profile | Author Map]
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First Published: 2026-08-25
Latest Update: 2026-08-25
Description:
Analyze molecular dynamics (MD) simulation data using structural alphabets. Protein local conformations from molecular simulations are encoded in a compressed string representation. Residue-level UniProt annotations can be directly retrieved. Comparative analysis tools are available to investigate conformational variability, coordinated motions, and differences between systems (e.g. wild-type vs mutant; bound vs unbound). Methodological details for the structural alphabet analysis can be found in Pandini et al. (2013) <doi:10.1093/bioinformatics/btt326>.
How to cite:
Alessandro Pandini (2026). MDaRes: MD Analysis of Residue Properties Using Structural Alphabets. R package version 0.0.2, https://cran.r-project.org/web/packages/MDaRes. Accessed 03 Oct. 2026.
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