SnugDocking result interpretation

[Anonymous]

Hi there:

I use snugDocking to Dock different antibody- antigens.  I wonder how could I determine good binding vs bad binding from the result web page.

I am currently decide by look at 1. interface score 2, similarity of top 10 models.  If the interface score is low and top 10 models have a couples model in similar position, I assume it is good binding, otherwise It isn’t

give an example:

 https://rosie.graylab.jhu.edu/snug_dock/viewjob/70005  I assume the binding is good

https://rosie.graylab.jhu.edu/snug_dock/viewjob/70015 I assume the binding is not very good.

Is this method correct?

 

Thanks and regards

Jessica

[Anonymous]

Dear Jessica,

In general, you are correct. Just so you are aware, score itself is not sufficient to identify good binding, especially when comparing multiple complex. There is a nice paper about this here: https://www.nature.com/articles/s41598-017-08414-y

Best,

Jeliazko

[Author]

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