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ProLIF

StemSkills Lab > ProLIF
How to Analyze Protein-Ligand Interactions Over an MD Trajectory (ProLIF and MDAnalysis, Step by Step)
22
Aug

Compute which binding-site residues held your ligand and for what percentage of the run, using ProLIF and MDAnalysis on a PBC-corrected GROMACS trajectory.

Posted in: Molecular Modeling ,
Tags: Drug Design , GROMACS , MDAnalysis , Molecular Dynamics , ProLIF , Protein-Ligand Interactions ,