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Research data . Dataset . 2021

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; +3 Authors
Open Access  
Published: 06 Sep 2021
Publisher: Zenodo
Abstract
This repository contains the set of data shown in the paper "Electrostatic co-assembly of nanoparticles with oppositely charged small molecules into static and dynamic superstructures", published on Nature Chemistry (DOI: 10.1038/s41557-021-00752-9). The files in the folders are organized as follow: AA_models/ : contains all the files needed to run the Atomistic simulations discussed in the paper (including the topologies and starting configurations). CG_models/ : contains all the files needed to run the Coarse Grained simulations discussed in the paper (including the topologies and starting configurations). citrate_analysis/ : contains all the files needed to reproduce the analysis of the CV and SOAP+PCA+PAMM (including input files and python scripts). Additional details are available in the methods section and in the Supporting Information of the main paper.
Related Organizations
Funded by
EC| DYNAPOL
Project
DYNAPOL
Modeling approaches toward bioinspired dynamic materials
  • Funder: European Commission (EC)
  • Project Code: 818776
  • Funding stream: H2020 | ERC | ERC-COG
,
EC| LifeLikeMat
Project
LifeLikeMat
Dissipative self-assembly in synthetic systems: Towards life-like materials
  • Funder: European Commission (EC)
  • Project Code: 820008
  • Funding stream: H2020 | ERC | ERC-COG