Evotec
This directory contains 3 workflows.
Evotec_StructureBasedVirtualScreening_Calibration
Workflow for Structure-based Virtual Screening calibration There are two main parts 1) decoy generation 2) docking evaluation using ROC curves and RMSD […]
Lean_SBVScalibration_forJCAMD_EmbedData
In red you will find tables with data embed in the WF, for RXRalpha test case, structure 1MVC