RMSD of protein-ligand docking.

01 January 1970 1 10K Report

How do I determind a single RMSD of a protein-ligand docking on dochthor as it is giving 10 RMSD values per ligand

If you have multiple ligands and the program is giving you 10 RMSD values per ligand, you can repeat the same process for each ligand. For each ligand, choose the pose with the lowest RMSD value to represent the best fit between the ligand and the protein.

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