Message boards : Rosetta@home Science : Design of protein binding proteins
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[VENETO] boboviz Send message Joined: 1 Dec 05 Posts: 1994 Credit: 9,623,704 RAC: 9,591 |
Very interesting publication from BakerLab |
dcdc Send message Joined: 3 Nov 05 Posts: 1831 Credit: 119,627,225 RAC: 11,586 |
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. |
dcdc Send message Joined: 3 Nov 05 Posts: 1831 Credit: 119,627,225 RAC: 11,586 |
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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Rosetta@home Science :
Design of protein binding proteins
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