Inter-chain distogram conditioning to ESMFold2 #357
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tadesautels
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I'm interested in using ESMFold2 to fold an enzyme, a cofactor, and a substrate. When passing multiple ligands as input, it seems like it could be very powerful to pass distogram information into ESMFold2, such that the cofactor and substrate are held together in the required relative positions, but I'm not aware of how to do this.
How does distogram conditioning presently work? Are inter-chain distograms currently something we can pass in? If not, is there any plan to include this feature? Are there other avenues to effectively folding an enzyme, cofactor, and substrate?
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