Research Data Supporting "Electrostatic co-assembly of nanoparticles with oppositely charged small molecules into static and dynamic superstructures"

<p>This repository contains the set of data shown in the paper &quot;<strong>Electrostatic co-assembly of nanoparticles with oppositely charged small molecules into static and dynamic superstructures</strong>&quot;, published on <strong>Nature Chemistry </strong>(DOI: 10.1038/s41557-021-00752-9).</p> <p>The files in the folders are organized as follow:</p> <p><strong>AA_models/ : </strong>contains all the files needed to run the Atomistic simulations discussed in the paper (including the topologies and starting configurations).</p> <p><strong>CG_models/ : </strong>contains all the files needed to run the Coarse Grained simulations discussed in the paper (including the topologies and starting configurations).</p> <p><strong>citrate_analysis/ : </strong>contains all the files needed to reproduce the analysis of the CV and SOAP+PCA+PAMM (including input files and python scripts).</p> <p>Additional details are available in the methods section and in the Supporting Information of the main paper.</p>