PROJECT #16468 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: 45,128

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Friday, 23 July 2021 15:14:10

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 4,038,187 90,141 44.80 1 hrs 32 mins
2 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 3,805,160 86,970 43.75 1 hrs 33 mins
3 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 3,230,477 83,382 38.74 1 hrs 37 mins
4 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 3,074,781 81,960 37.52 1 hrs 38 mins
5 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 2,586,840 77,561 33.35 1 hrs 43 mins
6 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,267,465 73,483 30.86 1 hrs 47 mins
7 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,157,001 73,683 29.27 1 hrs 49 mins
8 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 2,137,256 73,224 29.19 1 hrs 49 mins
9 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 2,098,204 72,408 28.98 1 hrs 50 mins
10 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 1,851,354 70,042 26.43 1 hrs 54 mins
11 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 1,842,663 69,783 26.41 1 hrs 55 mins
12 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 1,729,010 68,040 25.41 1 hrs 57 mins
13 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 1,694,123 67,686 25.03 1 hrs 58 mins
14 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 1,637,046 66,406 24.65 1 hrs 58 mins
15 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 1,629,466 66,777 24.40 1 hrs 59 mins
16 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 1,601,482 66,658 24.03 1 hrs 60 mins
17 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 1,443,580 63,361 22.78 1 hrs 3 mins
18 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,302,811 61,928 21.04 1 hrs 8 mins
19 GeForce RTX 3060
GA106 [GeForce RTX 3060]
Nvidia GA106 1,277,450 62,066 20.58 1 hrs 10 mins
20 GeForce RTX 3070 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 1,136,935 59,180 19.21 1 hrs 15 mins
21 Quadro P5000
GP104GL [Quadro P5000]
Nvidia GP104GL 1,108,630 59,024 18.78 1 hrs 17 mins
22 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 962,702 54,988 17.51 1 hrs 22 mins
23 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 931,901 55,369 16.83 1 hrs 26 mins
24 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 841,915 53,594 15.71 2 hrs 32 mins
25 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 634,134 42,596 14.89 2 hrs 37 mins
26 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 557,569 46,764 11.92 2 hrs 1 mins
27 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 553,969 46,819 11.83 2 hrs 2 mins
28 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 484,488 44,982 10.77 2 hrs 14 mins
29 GeForce GTX 1650
TU117 [GeForce GTX 1650] 3091
Nvidia TU117 476,522 44,424 10.73 2 hrs 14 mins
30 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 472,966 44,576 10.61 2 hrs 16 mins
31 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 378,206 41,085 9.21 3 hrs 36 mins
32 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 371,590 41,285 9.00 3 hrs 40 mins
33 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 329,119 37,932 8.68 3 hrs 46 mins
34 P104-100
GP104 [P104-100]
Nvidia GP104 297,019 38,043 7.81 3 hrs 4 mins
35 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 283,809 37,577 7.55 3 hrs 11 mins
36 P106-100
GP106 [P106-100]
Nvidia GP106 226,950 34,709 6.54 4 hrs 40 mins
37 GeForce GTX 950
GM206 [GeForce GTX 950] 1572
Nvidia GM206 177,711 30,617 5.80 4 hrs 8 mins
38 GeForce GTX 660 Ti
GK104 [GeForce GTX 660 Ti] 2634
Nvidia GK104 137,428 28,962 4.75 5 hrs 3 mins
39 Quadro K2200
GM107GL [Quadro K2200]
Nvidia GM107GL 101,567 26,508 3.83 6 hrs 16 mins
40 GeForce GTX 960M
GM107 [GeForce GTX 960M] 1439
Nvidia GM107 98,535 26,515 3.72 6 hrs 27 mins
41 GeForce GTX 750 Ti
GM107 [GeForce GTX 750 Ti] 1389
Nvidia GM107 93,585 25,697 3.64 7 hrs 35 mins
42 GeForce GT 1030
GP108 [GeForce GT 1030] 1127
Nvidia GP108 33,750 18,280 1.85 13 hrs 60 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Friday, 23 July 2021 15:14:10

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