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Right now, I ingest the subchains that make up each assembly, and prefer assemblies that use more subchains at once (by solving the set cover problem). However, I didn't consider cases where there ar…
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In proteinMPNN a very powerful feature is the ability to tie arbitrary positions together which allows for the optimization of sequence over repeat proteins and homooligomers. Is this something can be…
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Hi, great work !
I am wondering if it is possible to leverage intermolecular crosslinking data as distance restraint in alphalink?
Further, would it be possible to use ambiguous distance restraints…
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Say I have a hetero-oligomer--for instance, chains A, B, and C, share the same sequence, and chains D, E, and F share a different sequence--is there a way that I can tie the residues in A, B, and C to…
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Hi, I am looking for advice. I am trying to optimize some molecules and some of them are resulting in errors, where the optimization engine does not run. This is the error I received:
_The optimiza…
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GO:0001897 cytolysis by symbiont of host cells
- change label to 'symbiont-mediated cytolysis of host cell'
- change definition from "The killing by an organism of a cell in its host organism by m…
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All the excitation energies by me are vertical.
For GAMESS B3LYP optimized non-planar styrene, EOMCCSD(6-31+G*) gives /eV (8 states using symmetry A, macOS 2020R1 binarry, 6 states using the compile…
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Hi,
Thanks for this fine-tuning, very interesting. I am wondering if during predictions, does it take into account the context? I understand that it was trained on monomers, still I have a couple o…
gezmi updated
11 months ago
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Hello, when I called the BoilerTurbogenerator, I was a little confused about some combustion reactions in the boiler, may I ask you why these reactions occurred? Thanks a lot. Wish you a good day.
Th…
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First of all thank you for making this repo available.
I was wondering if you tested the algorithm on multimeric structures (having more than chain in the PDB file/Structure) or if you have any in…