FireGate Biotech FG-001: Structural Modeling Workflow and Docking Pipeline

This dataset documents a reproducible structural modeling and docking workflow developed within the FireGate Biotech FG-001 program. The workflow demonstrates end-to-end preparation of protein structures, ligand structures, format conversion, cavity detection, and blind docking using open-access computational tools. A CCR5 antagonist docking run is included as an internal positive-control example to validate pipeline functionality. The dataset is intended to serve as a foundation for future multi-target modeling studies supporting triplet-axis therapeutic design.