Research Data Supporting "Electrostatic co-assembly of nanoparticles with oppositely charged small molecules into static and dynamic superstructures"
收藏NIAID Data Ecosystem2026-03-13 收录
下载链接：
https://zenodo.org/record/5763924
下载链接
链接失效反馈官方服务：
资源简介：
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.
创建时间：
2021-12-08
