PROJECT #16467 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: 45,135

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 4,053,396 91,157 44.47 1 hrs 32 mins
2 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 3,871,850 89,626 43.20 1 hrs 33 mins
3 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 3,290,269 85,515 38.48 1 hrs 37 mins
4 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 3,280,922 86,371 37.99 1 hrs 38 mins
5 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 3,066,945 83,999 36.51 1 hrs 39 mins
6 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,336,809 75,730 30.86 1 hrs 47 mins
7 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,204,210 75,648 29.14 1 hrs 49 mins
8 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 2,141,242 74,788 28.63 1 hrs 50 mins
9 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 1,982,297 72,991 27.16 1 hrs 53 mins
10 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 1,917,126 72,330 26.51 1 hrs 54 mins
11 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 1,874,501 71,565 26.19 1 hrs 55 mins
12 Quadro RTX 6000/8000
TU102GL [Quadro RTX 6000/8000]
Nvidia TU102GL 1,873,056 71,540 26.18 1 hrs 55 mins
13 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 1,773,878 70,131 25.29 1 hrs 57 mins
14 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 1,723,215 69,274 24.88 1 hrs 58 mins
15 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 1,719,448 69,412 24.77 1 hrs 58 mins
16 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 1,690,266 68,947 24.52 1 hrs 59 mins
17 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 1,470,071 64,606 22.75 1 hrs 3 mins
18 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,396,478 64,939 21.50 1 hrs 7 mins
19 GeForce RTX 3060
GA106 [GeForce RTX 3060]
Nvidia GA106 1,353,836 64,259 21.07 1 hrs 8 mins
20 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 967,664 57,472 16.84 1 hrs 26 mins
21 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 902,326 55,207 16.34 1 hrs 28 mins
22 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 854,808 50,626 16.88 1 hrs 25 mins
23 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 617,214 49,291 12.52 2 hrs 55 mins
24 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 493,952 45,448 10.87 2 hrs 12 mins
25 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 449,959 44,682 10.07 2 hrs 23 mins
26 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 291,831 38,689 7.54 3 hrs 11 mins
27 P106-100
GP106 [P106-100]
Nvidia GP106 249,316 36,480 6.83 4 hrs 31 mins
28 GeForce GTX 1050 Ti Mobile
GP107M [GeForce GTX 1050 Ti Mobile]
Nvidia GP107M 203,754 34,341 5.93 4 hrs 3 mins
29 GeForce GTX 660 Ti
GK104 [GeForce GTX 660 Ti] 2634
Nvidia GK104 165,406 30,183 5.48 4 hrs 23 mins
30 GeForce GTX 750 Ti
GM107 [GeForce GTX 750 Ti] 1389
Nvidia GM107 111,479 28,095 3.97 6 hrs 3 mins
31 GeForce GT 1030
GP108 [GeForce GT 1030] 1127
Nvidia GP108 92,541 26,330 3.51 7 hrs 50 mins
32 GeForce GT 840M
GM108 [GeForce GT 840M]
Nvidia GM108 34,919 16,191 2.16 11 hrs 8 mins
33 GTX 650 Ti Boost
GK106 [GTX 650 Ti Boost]
Nvidia GK106 23,869 7,321 3.26 7 hrs 22 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