Design of protein binding proteins

Message boards : Rosetta@home Science : Design of protein binding proteins

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Profile [VENETO] boboviz

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Message 102549 - Posted: 7 Sep 2021, 12:03:08 UTC

Very interesting publication from BakerLab
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Profile dcdc

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Message 102550 - Posted: 7 Sep 2021, 21:36:33 UTC - in response to Message 102549.  

Really interesting, thanks!
I wonder if that's some if the recent take that we've been crunching?

It says:
Because of the loss in resolution in the hashing used to build the RIF, and the necessarily approximate accounting for interactions between sidechains (see methods), we found that evaluation of the RIF solutions is considerably enhanced by full combinatorial optimization using the Rosetta forcefield, allowing the target sidechains to repack and the scaffold backbone to relax. Full combinatorial sequence optimization is quite CPU intensive, however, and to enable rapid screening through millions of alternative backbone placements, we developed a rapid pre-screening method using Rosetta to identify promising RIF docks.

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Profile dcdc

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Message 102551 - Posted: 7 Sep 2021, 21:36:34 UTC - in response to Message 102549.  

Really interesting, thanks!
I wonder if that's some if the recent take that we've been crunching?

It says:
Because of the loss in resolution in the hashing used to build the RIF, and the necessarily approximate accounting for interactions between sidechains (see methods), we found that evaluation of the RIF solutions is considerably enhanced by full combinatorial optimization using the Rosetta forcefield, allowing the target sidechains to repack and the scaffold backbone to relax. Full combinatorial sequence optimization is quite CPU intensive, however, and to enable rapid screening through millions of alternative backbone placements, we developed a rapid pre-screening method using Rosetta to identify promising RIF docks.

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Message boards : Rosetta@home Science : Design of protein binding proteins



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