PROJECT #16488 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 16471 – RIPK2:BI inhibitor-bound complex 16488 – RIPK2:BI inhibitor-bound complex (alt configuration).

PROJECT INFO

Manager(s): Sukrit Singh

Institution: Memorial Sloan-Kettering Cancer-Center

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

PROJECT WORK UNIT SUMMARY

Atoms: 65,411

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Monday, 23 May 2022 03:34:45

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 4,722,714 126,068 37.46 1 hrs 38 mins
2 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 4,363,680 121,591 35.89 1 hrs 40 mins
3 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 4,003,384 118,655 33.74 1 hrs 43 mins
4 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 3,714,634 114,146 32.54 1 hrs 44 mins
5 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 3,117,942 109,956 28.36 1 hrs 51 mins
6 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 3,048,723 109,277 27.90 1 hrs 52 mins
7 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 2,891,145 107,082 27.00 1 hrs 53 mins
8 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 2,795,313 106,297 26.30 1 hrs 55 mins
9 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 2,630,222 103,882 25.32 1 hrs 57 mins
10 GeForce RTX 3070 Lite Hash Rate
GA104 [GeForce RTX 3070 Lite Hash Rate]
Nvidia GA104 2,539,478 102,872 24.69 1 hrs 58 mins
11 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,433,983 102,088 23.84 1 hrs 0 mins
12 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,364,378 100,696 23.48 1 hrs 1 mins
13 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,157,291 97,676 22.09 1 hrs 5 mins
14 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,144,306 97,756 21.94 1 hrs 6 mins
15 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,133,944 96,694 22.07 1 hrs 5 mins
16 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 2,036,544 93,670 21.74 1 hrs 6 mins
17 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,020,738 95,438 21.17 1 hrs 8 mins
18 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 1,805,584 92,360 19.55 1 hrs 14 mins
19 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 1,588,255 88,257 18.00 1 hrs 20 mins
20 Quadro RTX 5000
TU104GL [Quadro RTX 5000]
Nvidia TU104GL 1,534,841 87,045 17.63 1 hrs 22 mins
21 GeForce RTX 3070 Mobile / Max-Q
GA104M [GeForce RTX 3070 Mobile / Max-Q]
Nvidia GA104M 1,508,183 87,279 17.28 1 hrs 23 mins
22 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,497,392 86,919 17.23 1 hrs 24 mins
23 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,469,840 86,348 17.02 1 hrs 25 mins
24 GeForce RTX 3060 Lite Hash Rate
GA106 [GeForce RTX 3060 Lite Hash Rate]
Nvidia GA106 1,446,654 85,653 16.89 1 hrs 25 mins
25 GeForce RTX 3060 Mobile / Max-Q
GA106M [GeForce RTX 3060 Mobile / Max-Q]
Nvidia GA106M 1,442,518 84,903 16.99 1 hrs 25 mins
26 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,429,966 85,086 16.81 1 hrs 26 mins
27 GeForce RTX 3070 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 1,325,158 83,213 15.92 2 hrs 30 mins
28 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,221,561 81,134 15.06 2 hrs 36 mins
29 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,031,027 76,275 13.52 2 hrs 47 mins
30 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 991,514 75,290 13.17 2 hrs 49 mins
31 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 978,726 75,129 13.03 2 hrs 51 mins
32 GeForce RTX 2060 Mobile / Max-Q
TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550
Nvidia TU106M 945,076 74,104 12.75 2 hrs 53 mins
33 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 935,350 73,653 12.70 2 hrs 53 mins
34 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 887,714 72,447 12.25 2 hrs 58 mins
35 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 883,590 72,685 12.16 2 hrs 58 mins
36 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 830,624 71,278 11.65 2 hrs 4 mins
37 GeForce GTX 980
GM204 [GeForce GTX 980] 4612
Nvidia GM204 596,606 63,626 9.38 3 hrs 34 mins
38 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 574,819 62,891 9.14 3 hrs 38 mins
39 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 574,659 63,174 9.10 3 hrs 38 mins
40 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 516,063 60,904 8.47 3 hrs 50 mins
41 Quadro P2200
GP106GL [Quadro P2200]
Nvidia GP106GL 491,884 59,777 8.23 3 hrs 55 mins
42 GeForce GTX 1060 Mobile
GP106M [GeForce GTX 1060 Mobile]
Nvidia GP106M 450,706 58,072 7.76 3 hrs 6 mins
43 GeForce GTX 1650
TU117 [GeForce GTX 1650] 3091
Nvidia TU117 428,438 53,553 8.00 3 hrs 60 mins
44 P104-100
GP104 [P104-100]
Nvidia GP104 422,241 56,723 7.44 3 hrs 13 mins
45 GeForce GTX 1650
TU117 [GeForce GTX 1650]
Nvidia TU117 378,657 51,493 7.35 3 hrs 16 mins
46 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 355,301 49,512 7.18 3 hrs 21 mins
47 P106-100
GP106 [P106-100]
Nvidia GP106 323,795 51,912 6.24 4 hrs 51 mins
48 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 280,432 48,037 5.84 4 hrs 7 mins
49 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 263,795 48,815 5.40 4 hrs 26 mins
50 P106-090
GP106 [P106-090]
Nvidia GP106 236,778 46,952 5.04 5 hrs 46 mins
51 GeForce GTX 980M
GM204 [GeForce GTX 980M] 3189
Nvidia GM204 235,892 46,886 5.03 5 hrs 46 mins
52 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 225,784 46,037 4.90 5 hrs 54 mins
53 Quadro K5000
GK104 [Quadro K5000]
Nvidia GK104 207,719 45,045 4.61 5 hrs 12 mins
54 GeForce GTX 770
GK104 [GeForce GTX 770] 3213
Nvidia GK104 203,633 44,295 4.60 5 hrs 13 mins
55 GeForce GTX 950
GM206 [GeForce GTX 950] 1572
Nvidia GM206 186,734 42,703 4.37 5 hrs 29 mins
56 GeForce GTX 680
GK104 [GeForce GTX 680] 3250
Nvidia GK104 184,288 43,104 4.28 6 hrs 37 mins
57 GeForce GTX 690
GK104 [GeForce GTX 690] 3130
Nvidia GK104 180,406 42,927 4.20 6 hrs 43 mins
58 GeForce GTX 660 Ti
GK104 [GeForce GTX 660 Ti] 2634
Nvidia GK104 127,379 38,331 3.32 7 hrs 13 mins
59 Quadro K2200
GM107GL [Quadro K2200]
Nvidia GM107GL 103,666 35,589 2.91 8 hrs 14 mins
60 GeForce GT 1030
GP108 [GeForce GT 1030] 1127
Nvidia GP108 34,441 24,161 1.43 17 hrs 50 mins
61 GeForce GTX 560 Ti
GF114 [GeForce GTX 560 Ti]
Nvidia GF114 27,830 23,086 1.21 20 hrs 55 mins
62 GeForce GT 730
GK208B [GeForce GT 730] 692.7
Nvidia GK208B 25,825 22,445 1.15 21 hrs 52 mins
63 GeForce 920M
GK208 [GeForce 920M]
Nvidia GK208 25,006 22,270 1.12 21 hrs 22 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Monday, 23 May 2022 03:34:45

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