Published March 21, 2024
| Version 1.0.1
Dataset
Open
LIT-PCBA nine targets subset
Creators
Description
This dataset is the accompanying data for the submitted manuscript:
"An ANI-2 Enabled Open-Source Protocol To Estimate Ligand Strain After Docking"
Files
Files
(16.4 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:580f5c8803c29fcd4eee208a0107f159
|
16.4 MB | Download |
Additional details
Related works
- Is derived from
- Journal article: 10.1021/acs.jcim.0c00155 (DOI)