Dataset Open Access
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 | |
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Views | 62 | 62 |
Downloads | 7 | 7 |
Data volume | 82.3 GB | 82.3 GB |
Unique views | 54 | 54 |
Unique downloads | 6 | 6 |