Salvato in:
| Autore principale: | |
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| Natura: | Recurso digital |
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| Pubblicazione: |
Zenodo
2026
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| Accesso online: | https://doi.org/10.5281/zenodo.18256697 |
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Sommario:
- <p>This file contains full 3D docking pose data for 63 representative ligands docked to ELMO2 receptor</p> <p>For each ligand, docking was performed against multiple receptor conformations derived<br>from molecular dynamics clustering. Each SDF file contains multiple docking poses<br>generated by smina.</p> <p>Directory structure:<br>- Ligand_CXX/: docking poses for ligand CXX<br>- CXX_docked_to_receptorYY.sdf: poses of ligand CXX docked to receptor YY<br>- CXX_docked_to_receptorYY.log: log file of ligand CXX docked to receptor YY</p> <p>Docking software: smina<br>Output format: SDF</p>