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Example for more-than-2-proteins complex estimation #27

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andreasntr opened this issue Jul 18, 2021 · 3 comments
Open

Example for more-than-2-proteins complex estimation #27

andreasntr opened this issue Jul 18, 2021 · 3 comments

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@andreasntr
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The example provided for complex estimation and the make_joint_MSA_bacterial.py script refer to just 2 proteins. In the cases where more than 2 proteins must be docked (the paper talks about two or more sequences), how does the pipeline work?
Should we run make_joint_MSA_bacterial.py iteratively adding one protein at a time (after the first 2 have been docked)?

@LW-meng
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LW-meng commented Aug 9, 2021

I encounter a similar problem. In my case, I need to model the complex of viruses and antibody, but antibody has two sequences(light and heavy chain).
Is there any solution for this case? Many Thanks!

@andreasntr
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andreasntr commented Aug 9, 2021

This is the actual reason for which I opened the issue. Complex modeling is not feasible (looking at the provided instructions) even between two proteins if at least one them has more than one chain

@callahak
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What is the difference between bacterial and eukaryotic alignment that makes eukaryotic harder? How does a eukaryotic multi sequence alignment created from the same make_msa.py script differ from a bacterial one so that it can't be used as input for make_joint_MSA_bacterial.py?

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