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Published September 6, 2021 | Version v1
Dataset Open

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

  • 1. Department of Organic Chemistry, Weizmann Institute of Science, Rehovot 76100, Israel
  • 2. 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
  • 3. Department of Chemical Research Support, Weizmann Institute of Science, Rehovot 76100, Israel
  • 4. Department of Innovative Technologies, University of Applied Sciences and Arts of Southern Switzerland, CH-6928 Manno, Switzerland
  • 5. X-ray Science Division, Advanced Photon Source, Argonne National Laboratory, Lemont, IL 60439, USA

Description

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.

Files

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Additional details

Funding

Molecular Control of Bioinspired Supramolecular Polymers with Fuel-Regulated Dynamic Behavior IZLIZ2_183336
Swiss National Science Foundation
LifeLikeMat – Dissipative self-assembly in synthetic systems: Towards life-like materials 820008
European Commission
Multiscale Modeling of Self-Assembled Polymeric Nanocarriers Responding to Specific Protein Stimuli 200021_175735
Swiss National Science Foundation
DYNAPOL – Modeling approaches toward bioinspired dynamic materials 818776
European Commission