ligand preparation + binding energies and VDW/HB scores

[GiovanniRoviello]

Dear All,


1-Is it necessary to add H to ligand structures before docking? I tried both with and without and results are not the same

2-is it possible to get binding energies (kcal/mol), and the VDW and HB scores after each docking? I see mentioned these two latters but I do not see the numeric values and the 3 equations have more than 3 unknowns

Thank you!

[xiaogenz]

Thank you for your questions. The ligand should be adder H atoms because the docking score is related the item. We hope EDock software is helpful for your project.