chemical structures and molecule dynamic simulation

Li, hongshuang; Zuo, jiaqi

doi:10.5281/zenodo.18611803

Published February 11, 2026 | Version v1

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chemical structures and molecule dynamic simulation

1. East China University of Science and Technology

This dataset cotain 2 files. One is the chemical structures of PFCAs. Another one is the initial configurations of ligandrm and nanopore (PDB: 9FM6) and energy minimized configurations of their complex.

Files

ChemDraw structure.zip

Files (182.2 MB)

Name	Size	Download all
ChemDraw structure.zip md5:51f3f3a3f63c63713f26faed9b47981d	54.2 kB	Preview Download
Molecule dynamic simulation.zip md5:dc304e2fd5e2ce7b06870500875bef63	182.2 MB	Preview Download

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Other: 2026-02-11

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Dataset

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Zenodo

License: Creative Commons Attribution 4.0 International

The Creative Commons Attribution license allows re-distribution and re-use of a licensed work on the condition that the creator is appropriately credited. Read more

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Created: February 11, 2026
Modified: February 11, 2026

chemical structures and molecule dynamic simulation

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Description

Files

ChemDraw structure.zip

Files (182.2 MB)

Additional details

Dates