Research Data Supporting "Electrostatic co-assembly of nanoparticles with oppositely charged small molecules into static and dynamic superstructures"
Creators
- 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
Files
(11.8 GB)
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md5:a520b412bf4d783b06bfd2287c9b7239
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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