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primaryodors / primarydock

PrimaryOdors.org molecular docker.
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Ability to dock dimers. #118

Open primaryodors opened 2 years ago

primaryodors commented 2 years ago

If you make a spoonerism of PrimaryDock, it sounds like "dimer-y proc". Therefore, by its name, this application must be enhanced to allow docking ligands into dimers, ideally both heterodimers and homodimers.

Make it happen.

electronicsbyjulie commented 1 year ago

The system of ligand + receptor could itself be considered a heterodimer. Therefore, the program already lives up to its name.

primaryodors commented 1 year ago

Nice try. 😛

primaryodors commented 1 year ago

This ticket isn't just about docking two proteins together, but docking a ligand inside a protein dimer. One example would be the ability to dock sugars and sweeteners in a TAS1R2+TAS1R3 dimer, and savory/umami compounds in a TAS1R1+TAS1R3 dimer. So #268 doesn't fulfill the purpose of this issue.