use in docking or virtual screening

forlilab / waterkit

Tool to predict water molecules placement and energy in ligand binding sites

GNU General Public License v3.0

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use in docking or virtual screening #10

Open agoliaei opened 9 months ago

agoliaei commented 9 months ago

Hi, Thanks for sharing this. This is not an issue, but more like requesting for more help. Is there a quick tutorial or example where it is illustrated how this is used in docking/virtual screening using either AutoDock Vina/GPU? Thanks for your help.