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dauparas avatar dauparas commented on July 22, 2024

It's hard to say, you could try adding negative bias to K, and E amino acids when designing. It is known that the model has a bias towards polar residues like K, E for the surface residues when used with low sampling temperatures (0.1). You could also try to increase the sampling temperature.

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kjogr12 avatar kjogr12 commented on July 22, 2024

Thank you for your insightful response. I appreciate your suggestion to add a negative bias to K and E amino acids and to consider adjusting the sampling temperature.
When employing a negative bias, do you have any recommended setting for each amino acid? I am considering configuring the settings based on the amino acid distribution of PDBbench shown in SPDesign(https://www.biorxiv.org/content/10.1101/2023.12.14.571651v1).

I would be grateful if you could share any recommendations you might have.

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