Dock It - Protein-Ligand Dock

Dock It - Protein-Ligand Dock helps researchers and students prepare protein and ligand structures, run docking experiments, and inspect results on Android devices.

Overview

Dock It - Protein-Ligand Dock integrates structure import, preparation, and docking workflows. The app supports common molecular formats and provides an interactive 3D viewer for inspecting binding poses and scoring results, with options to adjust parameters and examine individual interactions.

Key features

• Structure preparation tools for adding hydrogens, assigning protonation states, and optimizing ligand geometry.
• Docking workflows to configure receptor and ligand inputs, set search parameters, and execute docking runs.
• Visualization with rotatable 3D views, selectable representations, and residue highlighting to inspect binding modes.
• Result analysis tools for sorting poses, comparing scores, and exporting coordinates and logs for further study.
• File compatibility with common formats for import and export to support integration with external desktop tools.

Dock It - Protein-Ligand Dock is intended for educational and research purposes; users should corroborate computational results with experimental data and established software workflows.