ConveyorLC: A Parallel Virtual Screening Pipeline for Docking and MM/GSBA (standalone).
gmx_qk: An Automated Protein/Protein–Ligand Complex Simulation Workflow Bridged to MM/PBSA, Based on Gromacs and Zenity-Dependent GUI for Beginners in MD Simulation Study (standalone)
iPBSA: Improving virtual screening results with MM/GBSA and MM/PBSA rescoring (standalone).
Uni-GBSA: open-source and web-based automatic workflow to perform MM/GB(PB)SA calculations for virtual screening (online)
VAD-MM/GBSA: webserver (VDGB) for protein-ligand binding free energy prediction by the variable atomic dielectric MM/GBSA method (online).
Classical
gmx_MMPBSA: gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files
Uni-GBSA: An Automatic Workflow to Perform MM/GB(PB)SA Calculations for Virtual Screening
