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 Sunday, 17 October 2021 11:36:01

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 4,005,763 91,274 43.89 1 hrs 33 mins
2 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 3,932,483 92,195 42.65 1 hrs 34 mins
3 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 3,735,404 87,407 42.74 1 hrs 34 mins
4 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 3,306,110 86,637 38.16 1 hrs 38 mins
5 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 3,095,626 83,727 36.97 1 hrs 39 mins
6 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 2,964,415 81,775 36.25 1 hrs 40 mins
7 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 2,808,742 81,483 34.47 1 hrs 42 mins
8 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 2,252,428 75,660 29.77 1 hrs 48 mins
9 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,154,163 74,957 28.74 1 hrs 50 mins
10 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 1,945,120 72,442 26.85 1 hrs 54 mins
11 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 1,905,642 71,885 26.51 1 hrs 54 mins
12 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 1,801,158 70,482 25.55 1 hrs 56 mins
13 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 1,798,753 69,507 25.88 1 hrs 56 mins
14 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 1,775,777 69,569 25.53 1 hrs 56 mins
15 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 1,775,261 70,228 25.28 1 hrs 57 mins
16 GeForce RTX 3070 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 1,754,788 68,340 25.68 1 hrs 56 mins
17 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 1,746,894 69,777 25.04 1 hrs 58 mins
18 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,673,691 68,283 24.51 1 hrs 59 mins
19 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 1,622,343 68,135 23.81 1 hrs 0 mins
20 Tesla P40
GP102GL [Tesla P40] 11760
Nvidia GP102GL 1,525,341 66,246 23.03 1 hrs 3 mins
21 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 1,466,772 64,892 22.60 1 hrs 4 mins
22 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,387,369 64,686 21.45 1 hrs 7 mins
23 TITAN X
GP102 [TITAN X] 6144
Nvidia GP102 1,362,401 63,851 21.34 1 hrs 7 mins
24 GeForce RTX 3060
GA106 [GeForce RTX 3060]
Nvidia GA106 1,243,952 62,399 19.94 1 hrs 12 mins
25 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,225,170 59,507 20.59 1 hrs 10 mins
26 GeForce RTX 3060 Mobile / Max-Q
GA106M [GeForce RTX 3060 Mobile / Max-Q]
Nvidia GA106M 1,168,122 61,300 19.06 1 hrs 16 mins
27 Quadro P5000
GP104GL [Quadro P5000]
Nvidia GP104GL 1,071,453 59,525 18.00 1 hrs 20 mins
28 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 995,971 57,818 17.23 1 hrs 24 mins
29 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 960,194 56,719 16.93 1 hrs 25 mins
30 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 852,812 50,806 16.79 1 hrs 26 mins
31 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 820,360 54,391 15.08 2 hrs 35 mins
32 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 717,857 39,354 18.24 1 hrs 19 mins
33 Tesla P4
GP104GL [Tesla P4] 5704
Nvidia GP104GL 668,753 50,621 13.21 2 hrs 49 mins
34 GeForce GTX 980
GM204 [GeForce GTX 980] 4612
Nvidia GM204 615,029 49,828 12.34 2 hrs 57 mins
35 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 560,444 47,837 11.72 2 hrs 3 mins
36 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 533,183 47,012 11.34 2 hrs 7 mins
37 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 453,007 43,880 10.32 2 hrs 19 mins
38 GeForce GTX 1650
TU117 [GeForce GTX 1650] 3091
Nvidia TU117 411,280 40,065 10.27 2 hrs 20 mins
39 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 400,286 43,130 9.28 3 hrs 35 mins
40 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 346,370 38,318 9.04 3 hrs 39 mins
41 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 310,669 39,315 7.90 3 hrs 2 mins
42 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 251,627 36,648 6.87 3 hrs 30 mins
43 P106-100
GP106 [P106-100]
Nvidia GP106 246,593 36,437 6.77 4 hrs 33 mins
44 Quadro M4000
GM204GL [Quadro M4000]
Nvidia GM204GL 224,903 34,932 6.44 4 hrs 44 mins
45 GeForce GTX 1050 Ti Mobile
GP107M [GeForce GTX 1050 Ti Mobile]
Nvidia GP107M 190,390 33,525 5.68 4 hrs 14 mins
46 GeForce GTX 660 Ti
GK104 [GeForce GTX 660 Ti] 2634
Nvidia GK104 156,072 28,340 5.51 4 hrs 21 mins
47 GeForce GTX 750 Ti
GM107 [GeForce GTX 750 Ti] 1389
Nvidia GM107 121,384 28,662 4.24 6 hrs 40 mins
48 GeForce GTX 960M
GM107 [GeForce GTX 960M] 1439
Nvidia GM107 102,085 27,082 3.77 6 hrs 22 mins
49 Quadro P620
GP107GL [Quadro P620]
Nvidia GP107GL 97,137 26,766 3.63 7 hrs 37 mins
50 Quadro K1200
GM107GL [Quadro K1200]
Nvidia GM107GL 74,003 24,513 3.02 8 hrs 57 mins
51 GeForce GT 1030
GP108 [GeForce GT 1030] 1127
Nvidia GP108 59,969 21,948 2.73 9 hrs 47 mins
52 VGX K2
GK104GL [VGX K2]
GK104GL 51,586 21,675 2.38 10 hrs 5 mins
53 GeForce GT 730
GK208B [GeForce GT 730] 692.7
Nvidia GK208B 27,044 17,368 1.56 15 hrs 25 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Sunday, 17 October 2021 11:36:01

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