Dockey

Molecular docking and virtual screening

Citation: Lianming Du, Chaoyue Geng, Qianglin Zeng, Ting Huang, Jie Tang, Yiwen Chu, Kelei Zhao. Dockey: a modern integrated tool for large-scale molecular docking and virtual screening. Briefings in Bioinformatics, 2023, 24(2):bbad047

Contents:

• Introduction
• Installation
  • On Windows
  • On Linux
  • MacOS
• Overview
• Project Management
  • Create Project
  • Open Project
  • Save As Project
  • Close Project
• Import molecules
  • Import Receptors
  • Import Ligands
  • Molecular List
• Molecular Docking
  • Docking engines
  • Search space
  • Performing basic docking
  • Fix Receptor
  • Performing flexible docking
  • Docking tasks
  • Parallel docking
  • CPU and memory usage
• Molecular Preparation
  • Receptor Preprocessing
  • Receptor Preparation
  • Ligand Preparation
• Global Settings
  • Autodock4 Settings
  • Autodock Vina Settings
  • QuickVina Settings
  • AutoDockTools Settings
  • Meeko Settings
  • PDBFixer Settings
  • PDB2PQR Settings
• Docking Poses
  • Pose View
  • Pose exporting
  • Pose Visualization
  • Preset Active Binding Sites
• Interactions
• Visualization

Indices and tables

• Index

• Module Index

• Search Page