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
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.
| Name | Size | |
|---|---|---|
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nat_chem_nanoparticles_assembly.tar.xz
md5:a520b412bf4d783b06bfd2287c9b7239 |
11.8 GB | Download |
| All versions | This version | |
|---|---|---|
| Views | 62 | 62 |
| Downloads | 7 | 7 |
| Data volume | 82.3 GB | 82.3 GB |
| Unique views | 54 | 54 |
| Unique downloads | 6 | 6 |
- Publication date:
- September 6, 2021
- DOI:
-
- Grants:
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European Commission:
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LifeLikeMat - Dissipative self-assembly in synthetic systems: Towards life-like materials (820008)
- DYNAPOL - Modeling approaches toward bioinspired dynamic materials (818776)
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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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LifeLikeMat - Dissipative self-assembly in synthetic systems: Towards life-like materials (820008)
- Communities:
- License (for files):
- Creative Commons Attribution 4.0 International