Dataset and analysis of molecular dynamics simulation of EpCAM ectodomain dimer

The data provided and described here give insight into the solution dynamics of the dimer of human EpCAM ectodomain (EpEX). As the starting point, crystal structure of EpEX non-covalent dimer was used (PDB ID 4MZV). The coordinates of solvent-embedded dimer were used to generate a topology file, whi...

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Bibliographic Details
Main Author: Miha Pavšič
Format: Article
Language:English
Published: Elsevier 2021-10-01
Series:Data in Brief
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2352340921006855