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gmx_MMPBSA

StemSkills Lab > gmx_MMPBSA
How to Calculate Protein-Ligand Binding Free Energy in GROMACS (MM-PBSA Tutorial)
15
Jul

Estimate protein-ligand binding free energy from a finished GROMACS trajectory with the free gmx_MMPBSA tool. Follow the step-by-step MM-PBSA workflow now.

Posted in: Molecular Modeling ,
Tags: Binding Free Energy , Drug Design , gmx_MMPBSA , GROMACS , MM-PBSA , Molecular Dynamics ,