Dataset Open Access

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

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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    <dct:description>&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;</dct:description>
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    <dct:title>Modeling approaches toward bioinspired dynamic materials</dct:title>
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Publication date:
September 6, 2021
DOI:
10.5281/zenodo.5763925

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10.5281/zenodo.5763925

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Grants:
European Commission:
  • LifeLikeMat - Dissipative self-assembly in synthetic systems: Towards life-like materials (820008)
  • DYNAPOL - Modeling approaches toward bioinspired dynamic materials (818776)
Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung:
  • Molecular Control of Bioinspired Supramolecular Polymers with Fuel-Regulated Dynamic Behavior (IZLIZ2_183336)
  • Multiscale Modeling of Self-Assembled Polymeric Nanocarriers Responding to Specific Protein Stimuli (200021_175735)
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License (for files):
Creative Commons Attribution 4.0 International

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