Dear DS moderators and Users,
I am studying the interactions between the ligands and receptor in the energetic levels using DS 2.5.5. I can calculate the binding free energies between ligands and receptor using protocol “Calculate Binding Energy” in “Receptor-Ligand Interactions” but I would like to estimate the binding free energy “per residue”, which would be very helpful to understand what residues are important for interactions.
I am grateful if some comments or suggests.
Many thanks in advance
I am studying the interactions between the ligands and receptor in the energetic levels using DS 2.5.5. I can calculate the binding free energies between ligands and receptor using protocol “Calculate Binding Energy” in “Receptor-Ligand Interactions” but I would like to estimate the binding free energy “per residue”, which would be very helpful to understand what residues are important for interactions.
I am grateful if some comments or suggests.
Many thanks in advance
