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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  <identifier identifierType="DOI">10.5281/zenodo.5763925</identifier>
  <creators>
    <creator>
      <creatorName>Bian, Tong</creatorName>
      <givenName>Tong</givenName>
      <familyName>Bian</familyName>
      <affiliation>Department of Organic Chemistry, Weizmann Institute of Science, Rehovot 76100, Israel</affiliation>
    </creator>
    <creator>
      <creatorName>Gardin, Andrea</creatorName>
      <givenName>Andrea</givenName>
      <familyName>Gardin</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-1587-3862</nameIdentifier>
      <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</affiliation>
    </creator>
    <creator>
      <creatorName>Gemen, Julius</creatorName>
      <givenName>Julius</givenName>
      <familyName>Gemen</familyName>
      <affiliation>Department of Organic Chemistry, Weizmann Institute of Science, Rehovot 76100, Israel</affiliation>
    </creator>
    <creator>
      <creatorName>Houben, Lothar</creatorName>
      <givenName>Lothar</givenName>
      <familyName>Houben</familyName>
      <affiliation>Department of Chemical Research Support, Weizmann Institute of Science, Rehovot 76100, Israel</affiliation>
    </creator>
    <creator>
      <creatorName>Perego, Claudio</creatorName>
      <givenName>Claudio</givenName>
      <familyName>Perego</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0001-8885-3080</nameIdentifier>
      <affiliation>Department of Innovative Technologies, University of Applied Sciences and Arts of Southern Switzerland, CH-6928 Manno, Switzerland</affiliation>
    </creator>
    <creator>
      <creatorName>Lee, Byeongdu</creatorName>
      <givenName>Byeongdu</givenName>
      <familyName>Lee</familyName>
      <affiliation>X-ray Science Division, Advanced Photon Source, Argonne National Laboratory, Lemont, IL 60439, USA</affiliation>
    </creator>
    <creator>
      <creatorName>Elad, Nadav</creatorName>
      <givenName>Nadav</givenName>
      <familyName>Elad</familyName>
      <affiliation>Department of Chemical Research Support, Weizmann Institute of Science, Rehovot 76100, Israel</affiliation>
    </creator>
    <creator>
      <creatorName>Chu, Zonglin</creatorName>
      <givenName>Zonglin</givenName>
      <familyName>Chu</familyName>
      <affiliation>Department of Organic Chemistry, Weizmann Institute of Science, Rehovot 76100, Israel</affiliation>
    </creator>
    <creator>
      <creatorName>Pavan, M. Giovanni</creatorName>
      <givenName>M. Giovanni</givenName>
      <familyName>Pavan</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-3473-8471</nameIdentifier>
      <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</affiliation>
    </creator>
    <creator>
      <creatorName>Klajn, Rafal</creatorName>
      <givenName>Rafal</givenName>
      <familyName>Klajn</familyName>
      <affiliation>Department of Organic Chemistry, Weizmann Institute of Science, Rehovot 76100, Israel</affiliation>
    </creator>
  </creators>
  <titles>
    <title>Research Data Supporting "Electrostatic co-assembly of nanoparticles with oppositely charged small molecules into static and dynamic superstructures"</title>
  </titles>
  <publisher>Zenodo</publisher>
  <publicationYear>2021</publicationYear>
  <dates>
    <date dateType="Issued">2021-09-06</date>
  </dates>
  <resourceType resourceTypeGeneral="Dataset"/>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://zenodo.org/record/5763925</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsVersionOf">10.5281/zenodo.5763924</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsPartOf">https://zenodo.org/communities/gmpavan-lab</relatedIdentifier>
  </relatedIdentifiers>
  <rightsList>
    <rights rightsURI="https://creativecommons.org/licenses/by/4.0/legalcode">Creative Commons Attribution 4.0 International</rights>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
  </rightsList>
  <descriptions>
    <description descriptionType="Abstract">&lt;p&gt;This repository contains the set of data shown in the paper &amp;quot;&lt;strong&gt;Electrostatic co-assembly of nanoparticles with oppositely charged small molecules into static and dynamic superstructures&lt;/strong&gt;&amp;quot;, published on &lt;strong&gt;Nature Chemistry &lt;/strong&gt;(DOI: 10.1038/s41557-021-00752-9).&lt;/p&gt;

&lt;p&gt;The files in the folders are organized as follow:&lt;/p&gt;

&lt;p&gt;&lt;strong&gt;AA_models/ : &lt;/strong&gt;contains all the files needed to run the Atomistic simulations discussed in the paper (including the topologies and starting configurations).&lt;/p&gt;

&lt;p&gt;&lt;strong&gt;CG_models/ : &lt;/strong&gt;contains all the files needed to run the Coarse Grained simulations discussed in the paper (including the topologies and starting configurations).&lt;/p&gt;

&lt;p&gt;&lt;strong&gt;citrate_analysis/ : &lt;/strong&gt;contains all the files needed to reproduce the analysis of the CV and SOAP+PCA+PAMM (including input files and python scripts).&lt;/p&gt;

&lt;p&gt;Additional details are available in the methods section and in the Supporting Information of the main paper.&lt;/p&gt;</description>
  </descriptions>
  <fundingReferences>
    <fundingReference>
      <funderName>Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung</funderName>
      <funderIdentifier funderIdentifierType="Crossref Funder ID">10.13039/501100001711</funderIdentifier>
      <awardNumber awardURI="info:eu-repo/grantAgreement/SNSF/Programmes%3BMultilateral+Co-operation+%28node%29/IZLIZ2_183336/">IZLIZ2_183336</awardNumber>
      <awardTitle>Molecular Control of Bioinspired Supramolecular Polymers with Fuel-Regulated Dynamic Behavior</awardTitle>
    </fundingReference>
    <fundingReference>
      <funderName>European Commission</funderName>
      <funderIdentifier funderIdentifierType="Crossref Funder ID">10.13039/501100000780</funderIdentifier>
      <awardNumber awardURI="info:eu-repo/grantAgreement/EC/H2020/820008/">820008</awardNumber>
      <awardTitle>Dissipative self-assembly in synthetic systems: Towards life-like materials</awardTitle>
    </fundingReference>
    <fundingReference>
      <funderName>Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung</funderName>
      <funderIdentifier funderIdentifierType="Crossref Funder ID">10.13039/501100001711</funderIdentifier>
      <awardNumber awardURI="info:eu-repo/grantAgreement/SNSF/Project+funding/200021_175735/">200021_175735</awardNumber>
      <awardTitle>Multiscale Modeling of Self-Assembled Polymeric Nanocarriers Responding to Specific Protein Stimuli</awardTitle>
    </fundingReference>
    <fundingReference>
      <funderName>European Commission</funderName>
      <funderIdentifier funderIdentifierType="Crossref Funder ID">10.13039/501100000780</funderIdentifier>
      <awardNumber awardURI="info:eu-repo/grantAgreement/EC/H2020/818776/">818776</awardNumber>
      <awardTitle>Modeling approaches toward bioinspired dynamic materials</awardTitle>
    </fundingReference>
  </fundingReferences>
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