3D docking pose dataset for representative ligands docked to ELMO2 receptor
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资源简介：
This file contains full 3D docking pose data for 63 representative ligands docked to ELMO2 receptor For each ligand, docking was performed against multiple receptor conformations derivedfrom molecular dynamics clustering. Each SDF file contains multiple docking posesgenerated by smina. Directory structure:- Ligand_CXX/: docking poses for ligand CXX- CXX_docked_to_receptorYY.sdf: poses of ligand CXX docked to receptor YY- CXX_docked_to_receptorYY.log: log file of ligand CXX docked to receptor YY Docking software: sminaOutput format: SDF
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Zenodo创建时间：
2026-01-15
