PROJECT #16469 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: 45,166

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Friday, 23 July 2021 12:13:40

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 4,037,984 91,097 44.33 1 hrs 32 mins
2 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 3,745,760 85,553 43.78 1 hrs 33 mins
3 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 3,346,240 85,128 39.31 1 hrs 37 mins
4 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 3,216,295 84,747 37.95 1 hrs 38 mins
5 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 2,791,792 80,394 34.73 1 hrs 41 mins
6 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 2,434,525 76,883 31.67 1 hrs 45 mins
7 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,423,216 75,725 32.00 1 hrs 45 mins
8 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,184,368 74,787 29.21 1 hrs 49 mins
9 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 2,134,477 73,959 28.86 1 hrs 50 mins
10 RTX A4000
GA104GL [RTX A4000]
GA104GL 2,026,117 72,696 27.87 1 hrs 52 mins
11 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 1,962,303 71,996 27.26 1 hrs 53 mins
12 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 1,851,828 70,658 26.21 1 hrs 55 mins
13 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 1,707,892 68,450 24.95 1 hrs 58 mins
14 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 1,703,924 68,460 24.89 1 hrs 58 mins
15 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 1,662,247 68,064 24.42 1 hrs 59 mins
16 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 1,590,513 67,176 23.68 1 hrs 1 mins
17 GeForce RTX 3070 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 1,469,180 62,522 23.50 1 hrs 1 mins
18 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 1,453,682 64,087 22.68 1 hrs 3 mins
19 GeForce RTX 3060
GA106 [GeForce RTX 3060]
Nvidia GA106 1,350,754 63,755 21.19 1 hrs 8 mins
20 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,345,443 63,773 21.10 1 hrs 8 mins
21 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 926,500 55,938 16.56 1 hrs 27 mins
22 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 919,415 56,399 16.30 1 hrs 28 mins
23 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 888,955 54,544 16.30 1 hrs 28 mins
24 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 837,254 54,242 15.44 2 hrs 33 mins
25 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 575,637 36,178 15.91 2 hrs 31 mins
26 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 548,716 47,094 11.65 2 hrs 4 mins
27 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 542,214 47,067 11.52 2 hrs 5 mins
28 GeForce GTX 1650
TU117 [GeForce GTX 1650] 3091
Nvidia TU117 476,546 45,438 10.49 2 hrs 17 mins
29 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 468,906 45,045 10.41 2 hrs 18 mins
30 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 376,492 41,831 9.00 3 hrs 40 mins
31 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 346,840 40,632 8.54 3 hrs 49 mins
32 P104-100
GP104 [P104-100]
Nvidia GP104 300,600 38,442 7.82 3 hrs 4 mins
33 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 296,814 39,856 7.45 3 hrs 13 mins
34 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 283,309 37,516 7.55 3 hrs 11 mins
35 GeForce GTX 950
GM206 [GeForce GTX 950] 1572
Nvidia GM206 192,455 33,272 5.78 4 hrs 9 mins
36 GeForce GTX 660 Ti
GK104 [GeForce GTX 660 Ti] 2634
Nvidia GK104 162,733 29,711 5.48 4 hrs 23 mins
37 GeForce GTX 750 Ti
GM107 [GeForce GTX 750 Ti] 1389
Nvidia GM107 93,972 26,049 3.61 7 hrs 39 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Friday, 23 July 2021 12:13:40

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