RosettaCommons / RosettaCommons/RFdiffusion
How to redesign interface residues to enable binding to a homolog?
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- Dominant language
- Python
- Stars
- 3.1k
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Description
I have a question in protein design. I have a complex consisting of chains A and B. Now, I also have a homolog of chain A, called A'. I want to design a new protein, B', such that A' and B' can bind to each other. Most of the amino acids in B' should remain the same as in B; only the interface residues of B should be changed as needed to enable binding with A'. Essentially, I can only use the structure of B to design a B' that is similar to B, modifying only the interface residues to achieve binding with A'. Is there a method for doing this? I would appreciate any suggestions or advice.
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Research direction
The issue names no files, tests, or entry points. Clarify with maintainers whether this is intended as a new RFdiffusion workflow or a general design question, then establish the expected inputs, interface-residue constraints, and validation criteria before identifying an implementation location.
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Assessment
- Tech stack
- python
- Domain
- bioinformatics, machine-learning
- Issue type
- Feature
- Difficulty
- 5/5
- Estimated time
- Over a week
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 20/100