title: research data supporting "Revealing the organization of catalytic sequence-defined oligomers via combined molecular dynamics simulations and network analysis"
author: Sinan Kardas
description: This repository contains all the data generated and analyzed including the starting structures, the input files, the trajectory files, the output data from cpptraj and network analyses, and in-house scripts used to prepare the network and module files shown in the paper "Revealing the organization of catalytic sequence-defined oligomers via combined molecular dynamics simulations and network analysis" published in Journal of Chemical Information and Modeling (DOI: 10.1021/acs.jcim.2c00101). 