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+# Supplementary Information of _Beyond the Protein Shell: Understanding the Light-Material Composition of Zika Virus_
+
+Camila Assis **Tavares**<sup>1,2</sup>, Martín **Soñora**<sup>3</sup>, Sergio **Pantano**<sup>3</sup>, Leandro **Martínez**<sup>1,2</sup>
+
+<span style="font-size:0.8em">
+<sup>1</sup> Institute of Chemistry, Universidade Estadual de Campinas (UNICAMP), Campinas, SP, Brazil <br>
+<sup>2</sup> Center for Computational Engineering & Science, Universidade Estadual de Campinas (UNICAMP), Campinas, SP, Brazil <br>
+<sup>3</sup> Biomolecular Simulations Group, Institut Pasteur de Montevideo, Mataojo 2020, Montevideo, Uruguay<br>
+</span>
+<br>
+
+_Corresponding author:_ <[email protected]>
+
+> 🔗 **Paper** <br>
+>[**Beyond the Protein Shell: Understanding the Light-Material Composition of Zika Virus**](linkdoartigo.doi.com)
+
+## Overview
+![](zikavi3.png)
+
+This repository contains the supplementary data for the study titled *Beyond the Protein Shell: Understanding the Light-Material Composition of Zika Virus*. The research explores the atomic-level distribution of light-material components within the Zika virus. By using coarse-grained simulations with the **[ComplexMixtures.jl](https://github.com/m3g/ComplexMixtures.jl)** package, the study analyzed solvation patterns across the viral structure, revealing specific differences and affinities regarding the light-material.
+
+The repository is structured as follows:
+
+* [**Plots/:**](Plots/README.md) Contains all figures generated during the analysis, including Coordination Number plots and 2D Density Maps.
+* [**Scripts/:**](Scripts/README.md) Includes the code used to perform the analyses and generate de plots.
+* [**Data/:**](Data/README.md) Provides data files required to reproduce the results.
+*  **README.md:** Instructions and descriptions for navigating the repository.
+
+## Dependencies
+This work was developed using the following software and packages:
+
+- **Julia 1.11.2:** Programming language.
+- **ComplexMixtures v2.10.1:** For light-material distribution analysis.
+- **LaTeXStrings v1.4.0:** For incorporating LaTeX-style formatting in plot labbels and annotations. 
+- **PDBTools v2.1.2:** For handling and analyzing PDB files.
+- **Plots v1.40.9:** For generating high-quality visualizations.
+
+### Installation
+The dependencies can be installed in Julia using:
+```julia
+using Pkg
+Pkg.add([
+    "ComplexMixtures",
+    "LaTeXStrings",
+    "PDBTools",
+    "Plots"
+])
+```
+<span style="font-size:0.9em;">* Ensure that you are using **Julia 1.11.2** for compatibility with the packages and scipts in the repository.</span>
+
+### Funding
+The authors acknowledge the financial support of Fapesp (2018/24293-0, 2023/14353-4). Research developed with the help of Coaraci Supercomputer (2019/17874-0).
+
+## References
+[**[1]** L. Martínez, **ComplexMixtures.jl: Investigating the structure solutions of complex-shaped molecules from a  solvent-shell perspective**. _J. Mol. Liq_. 347, 117945, 2022.](https://doi.org/10.1016/j.molliq.2021.117945)
+
+
+[**[2]** L. Martínez, S. Shimizu, **Molecular interpretation of preferential interactions in protein solvation: a solvent-shell perspective by means of minimum distribution functions**. _J. Chem. Theor. Comp_. 13, 6358-6372, 2017.](https://pubs.acs.org/doi/abs/10.1021/acs.jctc.7b00599)
+
+## Additional Resources
+For additional resources and publications related to the scope of this paper, please visit the [**M3G Website**](http://m3g.iqm.unicamp.br).
+
+___
+
+[<img align="left" src="m3g.svg" width="80">](http://m3g.iqm.unicamp.br)
+ _This work was carried out by the **M3G Group** at Unicamp in collaboration with the **Biomolecular Simulations Group** at the Institut Pasteur de Montevideo._