Hi,
I would like to explain a candidate ligand (e.g, small molecule) binding to a targeted protein. As there is no comparison with other ligands, how can we explain that?
Do they have a standard cut-off for free energy binding? Or can we show H-bond interaction from the best pose of ligand and a targeted protein?
Could anyone shed some light, please?
All the best,
You can compare the with a reported drug or ligand of the same family. Also, ligands having binding energy more than -8kcal/mol are considered to have good binding affinity.
In case of H-bond interaction, more the no of h-bond form more stable is the ligand at the binding site.
Amanpreet Kaur Thank you for your information. Could you provide a reference for free-binding protein (-8 kcal/mol), please? I will drive into it.
All the best,
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