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yassermb / DLA-Mutation

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s2003 Backrub pdb dataset #2

Open youjin-DDAI opened 6 months ago

youjin-DDAI commented 6 months ago

Hi I'm interested in your research, and I want to do further experiments. Could you share your full backrub pdb datasets for s2003? I tried to make complex using rosetta, but there are many failure cases. I would greatly appreciate it if you could share the dataset. Thank you :)

yassermb commented 6 months ago

Hello,

Thank you for your interest in our research. I will search in my archives to find the pdb files. It has been a while though and the database is too voluminous. Could you please explain why you had failures with Rosetta? Have you used the Rosetta Backrub package from Flex-ddG to reconstruct mutant complexes? From our experiences it works very well and I don't see updates since 5 years.

https://github.com/Kortemme-Lab/flex_ddG_tutorial

Let me know