Published July 17, 2024 | Version v1
Dataset Open

WT, Delta and Omicron RBDs Adsorption onto Hydrophobic, Hydrophilic Surfaces and Biological Interfaces

Authors/Creators

  • 1. ROR icon Universidad Autónoma de Madrid

Contributors

  • 1. ROR icon Universidad Autónoma de Madrid

Description

Simulations (trajectories) and analysis of the 3 VoCs RBDs of the SARS-CoV-2.

For more information go to this article: https://doi.org/10.1021/acs.jcim.4c00460

Other (English)

For more information go to this article: https://doi.org/10.1021/acs.jcim.4c00460

Files

Analysis.zip

Files (35.1 GB)

Name Size
md5:956587ba7b2277f57740b84fd01e1b8b
1.9 GB Preview Download
md5:423c10342b9779fb5f4748a22c3b6185
17.7 GB Preview Download
md5:31f99ba50f2cad12d322654c50c9c232
8.6 GB Preview Download
md5:847922a5a9d4f4b4e65b224e799c40a4
6.9 GB Preview Download

Additional details

Dates

Accepted
2024-07
Simulation trajectories and analysis

Software

Repository URL
https://github.com/pyF4all
Programming language
Python , Jupyter Notebook
Development Status
Active