Published May 16, 2023
| Version v3.0
Dataset
Open
Benchmark Data for Attracting Cavities 2.0 Small-Molecular Docking Program
- 1. SIB Swiss Institute of Bioinformatics
- 2. University of Lausanne (UNIL)
Description
This repository provides data from the following article:
U.F. Roehrig, M. Goullieux, M. Bugnon, V. Zoete,
Attracting Cavities 2.0: Improving the Flexibility and Robustness for Small-Molecule Docking.
J. Chem. Inf. Modeling 2023
https://doi.org/10.1021/acs.jcim.3c00054
Files
Files
(273.4 MB)
| Name | Size | Download all |
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md5:f4afc9ea8c9025bfeac6f98a02ee9a99
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1.3 kB | Download |
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md5:0d21e4ad441f706b4de19a1fb5a83547
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369.3 kB | Download |
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md5:445423799d8aa722fa1334c354e6b5c2
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18.7 kB | Download |
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md5:e4687292132e94ea60068fadc31cf978
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273.0 MB | Download |
Additional details
Related works
- Is supplement to
- Journal article: 10.1021/acs.jcim.3c00054 (DOI)