Final raw data Docking and Molecular dynamics

Published: 22 February 2021| Version 1 | DOI: 10.17632/tvksvtdbs7.1
Contributor:
Aura Caterine Castillo

Description

These data correspond to the results of molecular docking tests between the E envelope protein of the dengue virus and the GLUN2A subunit of the NMDA receptor and also contain the results of molecular dynamics between the two proteins evaluated.

Files

Steps to reproduce

Download the first file. rar from the molecular dynamics named archives and extract to a folder, which will allow you to get a complete 12 megabyte excel file. To view the docking data in pdb format, you must open them in the pymol program and the protein-protein docking haddocks can be viewed as a text file.

Institutions

Universidad Nacional de Colombia

Categories

Computational Inorganic Chemistry

Licence