September 6, 2021 Dataset Open Access

Bian, Tong; Gardin, Andrea; Gemen, Julius; Houben, Lothar; Perego, Claudio; Lee, Byeongdu; Elad, Nadav; Chu, Zonglin; Pavan, M. Giovanni; Klajn, Rafal

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{
  "description": "<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>\n\n<p>The files in the folders are organized as follow:</p>\n\n<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>\n\n<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>\n\n<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>\n\n<p>Additional details are available in the methods section and in the Supporting Information of the main paper.</p>", 
  "license": "https://creativecommons.org/licenses/by/4.0/legalcode", 
  "creator": [
    {
      "affiliation": "Department of Organic Chemistry, Weizmann Institute of Science, Rehovot 76100, Israel", 
      "@type": "Person", 
      "name": "Bian, Tong"
    }, 
    {
      "affiliation": "Department of Innovative Technologies, University of Applied Sciences and Arts of Southern Switzerland, CH-6928 Manno, Switzerland; Department of Applied Science and Technology, Politecnico di Torino, 10129 Torino, Italy", 
      "@id": "https://orcid.org/0000-0002-1587-3862", 
      "@type": "Person", 
      "name": "Gardin, Andrea"
    }, 
    {
      "affiliation": "Department of Organic Chemistry, Weizmann Institute of Science, Rehovot 76100, Israel", 
      "@type": "Person", 
      "name": "Gemen, Julius"
    }, 
    {
      "affiliation": "Department of Chemical Research Support, Weizmann Institute of Science, Rehovot 76100, Israel", 
      "@type": "Person", 
      "name": "Houben, Lothar"
    }, 
    {
      "affiliation": "Department of Innovative Technologies, University of Applied Sciences and Arts of Southern Switzerland, CH-6928 Manno, Switzerland", 
      "@id": "https://orcid.org/0000-0001-8885-3080", 
      "@type": "Person", 
      "name": "Perego, Claudio"
    }, 
    {
      "affiliation": "X-ray Science Division, Advanced Photon Source, Argonne National Laboratory, Lemont, IL 60439, USA", 
      "@type": "Person", 
      "name": "Lee, Byeongdu"
    }, 
    {
      "affiliation": "Department of Chemical Research Support, Weizmann Institute of Science, Rehovot 76100, Israel", 
      "@type": "Person", 
      "name": "Elad, Nadav"
    }, 
    {
      "affiliation": "Department of Organic Chemistry, Weizmann Institute of Science, Rehovot 76100, Israel", 
      "@type": "Person", 
      "name": "Chu, Zonglin"
    }, 
    {
      "affiliation": "Department of Innovative Technologies, University of Applied Sciences and Arts of Southern Switzerland, CH-6928 Manno, Switzerland; Department of Applied Science and Technology, Politecnico di Torino, 10129 Torino, Italy", 
      "@id": "https://orcid.org/0000-0002-3473-8471", 
      "@type": "Person", 
      "name": "Pavan, M. Giovanni"
    }, 
    {
      "affiliation": "Department of Organic Chemistry, Weizmann Institute of Science, Rehovot 76100, Israel", 
      "@type": "Person", 
      "name": "Klajn, Rafal"
    }
  ], 
  "url": "https://zenodo.org/record/5763925", 
  "datePublished": "2021-09-06", 
  "@context": "https://schema.org/", 
  "distribution": [
    {
      "contentUrl": "https://zenodo.org/api/files/18095a9b-6ee5-47b5-91d0-f5aad40270e5/nat_chem_nanoparticles_assembly.tar.xz", 
      "encodingFormat": "xz", 
      "@type": "DataDownload"
    }
  ], 
  "identifier": "https://doi.org/10.5281/zenodo.5763925", 
  "@id": "https://doi.org/10.5281/zenodo.5763925", 
  "@type": "Dataset", 
  "name": "Research Data Supporting \"Electrostatic co-assembly of nanoparticles with oppositely charged small molecules into static and dynamic superstructures\""
}