3D docking pose dataset for representative ligands docked to ELMO2 receptor
Fuente:
Zenodo
Guardado en:
| Autor principal: | |
|---|---|
| Formato: | Recurso digital |
| Publicado: |
Zenodo
2026
|
| Acceso en línea: | |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|
| _version_ | 1866901596728721408 |
|---|---|
| author | Wu, Feizhen |
| author_facet | Wu, Feizhen |
| contents | <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> |
| format | Recurso digital |
| id | zenodo_https___doi_org_10_5281_zenodo_18256697 |
| institution | Zenodo |
| language | |
| publishDate | 2026 |
| publisher | Zenodo |
| record_format | zenodo |
| spellingShingle | 3D docking pose dataset for representative ligands docked to ELMO2 receptor Wu, Feizhen <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> |
| title | 3D docking pose dataset for representative ligands docked to ELMO2 receptor |
| url | https://doi.org/10.5281/zenodo.18256697 |