PROJECT #16470 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)! In this set of projects we are studying the following systems: 16466 – RIPK2 16467 – RIPK2:CSLP43 inhibitor-bound complex 16468 – RIPK2:CSLP48 inhibitor-bound complex 16469 – RIPK2:GSK583 inhibitor-bound complex 16470 – RIPK2:WEHI-345 inhibitor-bound complex.

PROJECT INFO

Manager(s): Sukrit Singh

Institution: Memorial Sloan-Kettering Cancer-Center

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

PROJECT WORK UNIT SUMMARY

Atoms: 44,354

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Sunday, 04 December 2022 18:13:28

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 4,446,857 99,309 44.78 0 hrs 32 mins
2 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 4,324,451 97,519 44.34 0 hrs 32 mins
3 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 4,188,845 97,631 42.90 0 hrs 34 mins
4 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 3,935,019 95,927 41.02 0 hrs 35 mins
5 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 3,632,581 93,097 39.02 0 hrs 37 mins
6 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 3,430,294 91,424 37.52 0 hrs 38 mins
7 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 3,333,238 90,538 36.82 0 hrs 39 mins
8 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 2,730,450 84,620 32.27 0 hrs 45 mins
9 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,458,747 81,901 30.02 0 hrs 48 mins
10 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 2,435,836 81,333 29.95 0 hrs 48 mins
11 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,228,216 79,601 27.99 0 hrs 51 mins
12 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,203,197 79,138 27.84 0 hrs 52 mins
13 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,100,351 78,130 26.88 0 hrs 54 mins
14 GeForce RTX 3070 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 2,023,683 77,010 26.28 0 hrs 55 mins
15 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 1,981,911 75,878 26.12 0 hrs 55 mins
16 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 1,904,833 75,618 25.19 0 hrs 57 mins
17 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,788,909 73,669 24.28 0 hrs 59 mins
18 GeForce RTX 3060
GA106 [GeForce RTX 3060]
Nvidia GA106 1,776,826 74,034 24.00 0 hrs 60 mins
19 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,706,674 73,087 23.35 1 hrs 2 mins
20 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 1,675,138 71,669 23.37 1 hrs 2 mins
21 GeForce RTX 3060 Mobile / Max-Q
GA106M [GeForce RTX 3060 Mobile / Max-Q]
Nvidia GA106M 1,657,153 72,226 22.94 1 hrs 3 mins
22 Tesla P40
GP102GL [Tesla P40] 11760
Nvidia GP102GL 1,634,982 70,948 23.04 1 hrs 2 mins
23 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 1,524,639 70,654 21.58 1 hrs 7 mins
24 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,513,825 69,921 21.65 1 hrs 7 mins
25 TITAN X
GP102 [TITAN X] 6144
Nvidia GP102 1,497,996 69,436 21.57 1 hrs 7 mins
26 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,319,838 66,787 19.76 1 hrs 13 mins
27 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,285,856 66,327 19.39 1 hrs 14 mins
28 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,157,281 63,916 18.11 1 hrs 20 mins
29 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,099,948 62,735 17.53 1 hrs 22 mins
30 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,089,604 61,233 17.79 1 hrs 21 mins
31 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,054,877 61,957 17.03 1 hrs 25 mins
32 GeForce RTX 2060 Mobile / Max-Q
TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550
Nvidia TU106M 1,012,271 60,923 16.62 1 hrs 27 mins
33 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 923,710 58,933 15.67 2 hrs 32 mins
34 Tesla P4
GP104GL [Tesla P4] 5704
Nvidia GP104GL 738,406 54,956 13.44 2 hrs 47 mins
35 GeForce GTX 980
GM204 [GeForce GTX 980] 4612
Nvidia GM204 693,733 54,028 12.84 2 hrs 52 mins
36 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 643,595 52,518 12.25 2 hrs 58 mins
37 GeForce GTX 1650
TU117 [GeForce GTX 1650] 3091
Nvidia TU117 591,979 51,320 11.54 2 hrs 5 mins
38 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 560,135 50,475 11.10 2 hrs 10 mins
39 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 555,960 50,028 11.11 2 hrs 10 mins
40 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 528,325 49,188 10.74 2 hrs 14 mins
41 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 502,603 48,864 10.29 2 hrs 20 mins
42 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 493,351 48,310 10.21 2 hrs 21 mins
43 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 432,041 46,504 9.29 3 hrs 35 mins
44 P104-100
GP104 [P104-100]
Nvidia GP104 333,827 42,467 7.86 3 hrs 3 mins
45 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 279,410 40,072 6.97 3 hrs 27 mins
46 P106-100
GP106 [P106-100]
Nvidia GP106 264,787 39,212 6.75 4 hrs 33 mins
47 P106-090
GP106 [P106-090]
Nvidia GP106 256,380 38,734 6.62 4 hrs 38 mins
48 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 248,099 38,231 6.49 4 hrs 42 mins
49 GeForce GTX 950
GM206 [GeForce GTX 950] 1572
Nvidia GM206 214,639 36,399 5.90 4 hrs 4 mins
50 GeForce GTX 660 Ti
GK104 [GeForce GTX 660 Ti] 2634
Nvidia GK104 184,171 33,193 5.55 4 hrs 20 mins
51 GeForce GTX 1050 Ti Mobile
GP107M [GeForce GTX 1050 Ti Mobile]
Nvidia GP107M 138,918 31,493 4.41 5 hrs 26 mins
52 GeForce GTX 750 Ti
GM107 [GeForce GTX 750 Ti] 1389
Nvidia GM107 123,172 29,635 4.16 6 hrs 46 mins
53 GeForce GTX 960M
GM107 [GeForce GTX 960M] 1439
Nvidia GM107 121,589 30,139 4.03 6 hrs 57 mins
54 Quadro P620
GP107GL [Quadro P620]
Nvidia GP107GL 105,654 28,849 3.66 7 hrs 33 mins
55 GRID M40
GM107GL [GRID M40]
Nvidia GM107GL 89,617 27,345 3.28 7 hrs 19 mins
56 Quadro K1200
GM107GL [Quadro K1200]
Nvidia GM107GL 79,230 26,179 3.03 8 hrs 56 mins
57 GeForce GT 1030
GP108 [GeForce GT 1030] 1127
Nvidia GP108 40,997 20,957 1.96 12 hrs 16 mins
58 GeForce 920M
GK208 [GeForce 920M]
Nvidia GK208 27,949 18,663 1.50 16 hrs 2 mins
59 Quadro NVS 510
GK107 [Quadro NVS 510]
Nvidia GK107 9,582 13,023 0.74 33 hrs 37 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Sunday, 04 December 2022 18:13:28

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