Does the mutation sites are designed by manual? about binding-ddg-predictor

[c00jsw00]

I think you can used amber software to mutate the residue of the Ab (such as : JACS DOI: [10.1021/ja027200q]https://doi.org/10.1021/ja027200q), then run MD simulations to get optimized structure (this is very important)..I have tested the Urelumab-41BB ^^

[meetxinzhang]

@c00jsw00 Thanks for ur help. So, the deep learning model proposed by the citation only predicts free binding energy but does not design the antibody. Like the title said "guided".