Molecular dynamics simulations of glycine, lysine and arginine nonapeptides (G9, K9, R9) with hyaluronan (HA) (2)

Molecular dynamics simulations of glycine (G9), lysine (K9), and arginine (R9) nonapeptides in the presence of hyaluronan (HA).This dataset includes starting structures, topology and parameter files, force fields, and GROMACS .tpr files necessary to reproduce the simulations. Final trajectory files are also provided. This repository contains one replica of the simulations. Other replicas can be accessed from: doi.org/10.5281/zenodo.15115660