PROJECT #17805 RESEARCH FOR CANCER
FOLDING PERFORMANCE PROFILE

PROJECT SUMMARY

BAX apoptotic protein --- a drug target in lymphoma.

This is a homologous (i.e shares some structures) protein to BCL in projects 17800-03 --- as in there, I am testing adaptive sampling strategies --- this project is 'vanilla' (i.e. no adaptive algorithm) and the problem here is probably much harder than in the previous project, this particular protein experiences 'activation' which is a massive structural change, a long tail unbinds and extends away from the protein.

PROJECT INFO

Manager(s): Rafal Wiewiora

Institution: Memorial Sloan Kettering Cancer Center

Project URL: www.choderalab.org

PROJECT WORK UNIT SUMMARY

Atoms: 80,000

Core: OPENMM_22

Status: Beta

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Tuesday, 22 June 2021 07:03:46

Rank
Project
Model Name
Folding@Home Identifier
Make
Brand
GPU
Model
PPD
Average
Points WU
Average
WUs Day
Average
WU Time
Average
1 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,300,499 215,513 19.95 1 hrs 12 mins
2 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,102,406 169,922 12.37 2 hrs 56 mins
3 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 287,588 87,635 3.28 7 hrs 19 mins
4 GeForce 920M
GK208 [GeForce 920M]
Nvidia GK208 26,734 39,832 0.67 36 hrs 46 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Tuesday, 22 June 2021 07:03:46

Rank
Project
CPU Model Logical
Processors (LP)
PPD-PLP
AVG PPD per 1 LP
ALL LP-PPD
(Estimated)
Make