PROJECT #16466 RESEARCH FOR CANCER
FOLDING PERFORMANCE PROFILE

PROJECT SUMMARY

Kinases are a major target for a variety of cancer therapies, but their mechanism of action is relatively unknown at a detailed atomic level, preventing us from understanding and optimizing known inhibitors. 

One example is the Serine/Threonine Kinase RIPK2. RIPK2 inhibition is useful for cancer targeting as it prevents RIPK2 from binding a protein partner named XIAP. In fact, there are already 3 known inhibitors that bind to RIPK2 and prevent RIPK2-XIAP binding! However, it remains difficult to optimize these ligands for clinical purposes because we do not understand how any of these three inhibitors actually act on RIPK2 to prevent XIAP binding behavior. 

These four projects are simulating RIPK2 by itself and bound to each of the three inhibitors, with the hope that this will reveal a more detailed mechanism of how each inhibitor works to prevent XIAP binding. As a bonus, this will help reveal how RIPK2 *binds* XIAP (also unknown)! 

PROJECT INFO

Manager(s): Sukrit Singh

Institution: Memorial Sloan-Kettering Cancer-Center

Project URL: http://sukritsingh.github.io/

PROJECT WORK UNIT SUMMARY

Atoms: 45,078

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Friday, 30 July 2021 00:39:50

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 3090
GA102 [GeForce RTX 3090]
Nvidia GA102 3,996,763 91,377 43.74 1 hrs 33 mins
2 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 3,632,641 86,356 42.07 1 hrs 34 mins
3 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 3,468,134 87,056 39.84 1 hrs 36 mins
4 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 3,210,232 84,892 37.82 1 hrs 38 mins
5 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 3,184,461 85,690 37.16 1 hrs 39 mins
6 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 2,219,695 75,550 29.38 1 hrs 49 mins
7 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,212,929 75,867 29.17 1 hrs 49 mins
8 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 2,185,967 75,244 29.05 1 hrs 50 mins
9 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,034,802 68,680 29.63 1 hrs 49 mins
10 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 1,989,042 72,856 27.30 1 hrs 53 mins
11 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 1,919,473 72,406 26.51 1 hrs 54 mins
12 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 1,902,808 71,551 26.59 1 hrs 54 mins
13 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 1,806,982 70,565 25.61 1 hrs 56 mins
14 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 1,773,534 70,234 25.25 1 hrs 57 mins
15 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 1,745,778 69,860 24.99 1 hrs 58 mins
16 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,600,103 68,448 23.38 1 hrs 2 mins
17 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 1,463,866 64,585 22.67 1 hrs 4 mins
18 GeForce RTX 3070 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 1,452,016 61,092 23.77 1 hrs 1 mins
19 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,412,304 64,967 21.74 1 hrs 6 mins
20 GeForce RTX 3060
GA106 [GeForce RTX 3060]
Nvidia GA106 1,260,938 62,733 20.10 1 hrs 12 mins
21 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,191,660 62,066 19.20 1 hrs 15 mins
22 Quadro P5000
GP104GL [Quadro P5000]
Nvidia GP104GL 1,071,453 59,525 18.00 1 hrs 20 mins
23 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 975,405 57,476 16.97 1 hrs 25 mins
24 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 955,235 56,145 17.01 1 hrs 25 mins
25 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 878,973 55,723 15.77 2 hrs 31 mins
26 Tesla P4
GP104GL [Tesla P4] 5704
Nvidia GP104GL 685,414 51,296 13.36 2 hrs 48 mins
27 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 593,343 43,017 13.79 2 hrs 44 mins
28 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 560,444 47,837 11.72 2 hrs 3 mins
29 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 529,094 46,881 11.29 2 hrs 8 mins
30 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 473,305 45,203 10.47 2 hrs 18 mins
31 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 400,286 43,130 9.28 3 hrs 35 mins
32 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 382,684 42,590 8.99 3 hrs 40 mins
33 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 308,820 39,207 7.88 3 hrs 3 mins
34 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 293,690 38,722 7.58 3 hrs 10 mins
35 P106-100
GP106 [P106-100]
Nvidia GP106 245,655 36,418 6.75 4 hrs 33 mins
36 Quadro M4000
GM204GL [Quadro M4000]
Nvidia GM204GL 224,903 34,932 6.44 4 hrs 44 mins
37 GeForce GTX 750 Ti
GM107 [GeForce GTX 750 Ti] 1389
Nvidia GM107 108,210 26,927 4.02 6 hrs 58 mins
38 GeForce GTX 960M
GM107 [GeForce GTX 960M] 1439
Nvidia GM107 102,107 27,368 3.73 6 hrs 26 mins
39 GeForce GT 1030
GP108 [GeForce GT 1030] 1127
Nvidia GP108 35,870 19,255 1.86 13 hrs 53 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Friday, 30 July 2021 00:39:50

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