Data S1

Published: 25 July 2025| Version 1 | DOI: 10.17632/wxxvyzfr4p.1
Contributor:
Xiaolong Ye

Description

The input files, parameter files, topology files and trajectory analysis scripts used to generate the results in this work, as well as the representative structure of each simulation and video on molecular recognition pathways were provided as supporting information.

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Categories

Bioinformatics, Computer-Aided Drug Design

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