I need to make correlatinons between GOLD and AutoDock Vina docking results. But Vina gives only binding energy. I cannot find such parametr in GOLD results. Does anyone know how can I get binding energies via GOLD?
Hi Ekaterina,
Docking scores of GOLD should be given by positive values in the log files.
Check the following videos:
https://www.youtube.com/watch?v=5di4Ua1pMaU&ytbChannel=CCDCCambridge
https://www.youtube.com/watch?v=_CCpbKSSo3c&ytbChannel=Roberta%20Tesch
https://www.youtube.com/watch?v=7mK-GD76OOY&ytbChannel=Thugs%20of%20Science%20-Lab%20127
Hi Ekaterina,
GOLD docking scores correspond to binding energies.
If you are interested in binding free energies, try MM-PBSA/GBSA method for docking poses generated by Vina and GOLD.
http://ambermd.org/tutorials/advanced/tutorial3/
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