Folding Forum

[GPU] p17645 – MET seeding through ML methods - https://stats.foldingathome.org/project?p=17645 <project type="OPENMM_22" id="p17645"> <stats-credit v="14487"/> <deadline v="5"/ [GPU] p17646 – MET seeding through PDB - https://stats.foldingathome.org/project?p...

[GPU] p17640 – Abl1 Dasatinib binding studies - https://stats.foldingathome.org/project?p=17640 <project type="OPENMM_22" id="17640"> <stats-credit v="27012"/> <deadline v="5"/ [GPU] p17641 – Abl1 Dasatinib binding studies - https://stats.foldingathome.org/pro...

[GPU] p17639 – RIPK2 XIAP tetramer - https://stats.foldingathome.org/project?p=17639 <project type="OPENMM_22" id="17639"> <stats-credit v="112000"/> <deadline v="5"/ This system (connected to a larger project) has 1.2 Million Atoms in the simulation, which is...

[GPU] p17636 – Kinase Ligand Binding Experiment - https://stats.foldingathome.org/project?p=17636 <project type="OPENMM_22" id="17636"> <stats-credit v="27012"/> <deadline v="5"/ [GPU] p17637 – RIPK2 dimer - https://stats.foldingathome.org/project?p=17637 <pro...

Interesting! This is a project where as more gens are added there's more energy/bias in the system due to the sampling method used. It makes sense that there would be this slowdown after a while (low gen WUs were performing fine it seems). This is really interesting from a technical standpoint since...

The previous FEC work unit test was completed successfully so now we're running larger "full size" WUs that are more scientifically useful for studying protein mutations with Free Energy Calculations. As before, the approach and technology are similar to the Moonshot, but these set of proj...

This is a test of using the FAH GPU core for Free Energy Calculations! While the approach and technology are similar to the Moonshot, these set of projects instead are studying protein mutations rather than comparing and ranking different potential inhibitors between drugs. Specifically, we use the ...

[GPU] p17605 – MET kinase Umbrella sampling - https://stats.foldingathome.org/project?p=17605
<project type="OPENMM_22" id="17604">
<stats-credit v="65500"/>
<deadline v="5"/

[GPU] p17604 – MET kinase Umbrella sampling test - https://stats.foldingathome.org/project?p=17604 <project type="OPENMM_22" id="17604"> <stats-credit v="40000"/> <deadline v="5"/ This is, to my knowledge, the first test of using Umbrella sampling on FAH (a me...

[GPU] p16497 – MET kinase accelerated MD test 1 (eq) - https://stats.foldingathome.org/project?p=16497 <project type="OPENMM_22" id="16497"> <stats-credit v="33900"/> <deadline v="5"/ [GPU] p16498 – MET kinase accelerated MD test 2 (aMD) - https://stats.foldin...

Thanks for flagging! The server issue was institution related and we have already fixed the problem. The server is back to normal on the backend and should be back to normal within a day (once it fully re-syncs up with the other servers)...Sorry about that!

[GPU] p16493 – RIPK2 apo (gefitinib-bound like) - https://stats.foldingathome.org/project?p=16493 <project type="OPENMM_22" id="16493"> <stats-credit v="9843"/> <deadline v="5"/ [GPU] p16494 –RIPK2 apo (novartis-bound like) - https://stats.foldingathome.org/pr...

[GPU] p16491 – RIPK2 apo (alt configuration 2) - https://stats.foldingathome.org/project?p=16491 <project type="OPENMM_22" id="16491"> <stats-credit v="7172"/> <deadline v="5"/ [GPU] p16490 –RIPK2 apo (alt configuration 3) - https://stats.foldingathome.org/pro...

[GPU] p16489 – RIPK2:BI inhibitor-bound complex (alt configuration) - https://stats.foldingathome.org/project?p=16489 <project type="OPENMM_22" id="16489"> <stats-credit v="11856"/> <deadline v="5"/ [GPU] p16490 –RIPK2:NVS inhibitor-bound complex - https://sta...

[GPU] p16488 – Simulating cancer-target RIPK2 with an inhibitor - https://stats.foldingathome.org/project?p=16488
<project type="OPENMM_22" id="16488">
<stats-credit v="10864"/>
<deadline v="5"/>