Published March 3, 2022
| Version
v1
Dataset
Open
Dataset of Isoxazole Amides as SMYD3 Inhibitors
Creators
Description
This repository contains structural data from the paper:
"Ensemble Simulations and Experimental Free Energy Distributions: Evaluation and Characterization of Isoxazole Amides as SMYD3 Inhibitors"
Shunzhou Wan, Agastya P. Bhati, David W. Wright, Ian D. Wall, Alan P. Graves, Darren Green, Peter V. Coveney
Description of the attached files:
X-ray structure for the protein SMYD3, and structures for a set of Isoxazole Amides as SMYD3 inhibitors.
Files
Files
(378.5 kB)
| Name | Size | Download all |
|---|---|---|
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Checksum: md5:df75ade13683510df23051ddce747b95
PID: http://hdl.handle.net/11304/c34900ed-98e9-4e38-bab5-32467553b33c |
96.8 kB | Download |
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Checksum: md5:77823179d50661ba537d4d54c3b6e556
PID: http://hdl.handle.net/11304/97fe4c45-98a0-45e6-b244-3be5c409cd13 |
281.7 kB | Download |
Additional details
Identifiers
- B2SHARE Legacy Record ID
- bef5e6f304f941b0a6d6f0565902aee9
- B2SHARE Legacy Record ID
- 8e650caf35cb437dbf9007afc84c5257