PROJECT #18107 RESEARCH FOR CANCER
FOLDING PERFORMANCE PROFILE

PROJECT SUMMARY

We are simulating publicly available protein and small molecule structures of the currently very hot cancer target KRas, see https://www.fiercepharma.com/pharma/amgen-s-lumakras-becomes-first-fda-approved-kras-inhibitor-for-lung-cancer-patients for recent developments. Folding@home has previously looked at this protein (in project 10490), and the following part of the description is copied from there:

This project is "studying a small protein called KRAS, which forms a key link in growth signaling and cancer. This gene is something like a molecular switch with a timer. When it is bound to a molecule called GDP, it is off, and does not signal that the cell should grow. However, other proteins can cause it to swap its GDP for a GTP, turning KRAS on. In the on state, it signals that the cell should grow and divide. Normally, after some time, KRAS, with the aid of some partners, will chemically convert its GTP to GDP and return to its inactive state.

In many cancers, this protein becomes mutated, and cannot return to its off state. The result? The cells continue to divide without limit. What’s worse, cancers with this protein mutated tend to have much poorer prognoses. As a result, scientists have been trying to target this protein for decades."

We are investigating the dynamic behavior of KRas with these publicly disclosed inhibitors so that we can apply this knowledge to our own drug design. At the same time, we are further testing the adaptive sampling methodology. All data is being made publicly available, and insights from methodology developments will be shared. 

This is a project run by Roivant Sciences (formerly Silicon Therapeutics) as was officially announced in this press release: https://foldingathome.org/2021/04/20/maximizing-the-impact-of-foldinghome-by-engaging-industry-collaborators/

PROJECT INFO

Manager(s): Rafal Wiewiora

Institution: Roivant Sciences (Silicon Therapeutics)

Project URL: roivant.com

PROJECT WORK UNIT SUMMARY

Atoms: 19,714

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Tuesday, 26 October 2021 06:56:06

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 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 3,569,895 227,591 15.69 2 hrs 32 mins
2 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 2,834,061 121,243 23.38 1 hrs 2 mins
3 GeForce RTX 3090
GA102 [GeForce RTX 3090]
Nvidia GA102 2,735,741 122,359 22.36 1 hrs 4 mins
4 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 2,383,248 117,599 20.27 1 hrs 11 mins
5 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 2,368,243 117,086 20.23 1 hrs 11 mins
6 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 2,329,664 116,786 19.95 1 hrs 12 mins
7 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 2,317,037 116,160 19.95 1 hrs 12 mins
8 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 2,202,566 113,696 19.37 1 hrs 14 mins
9 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,117,761 113,095 18.73 1 hrs 17 mins
10 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 1,896,035 109,278 17.35 1 hrs 23 mins
11 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 1,847,991 108,352 17.06 1 hrs 24 mins
12 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 1,685,270 105,126 16.03 1 hrs 30 mins
13 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 1,669,798 104,654 15.96 2 hrs 30 mins
14 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 1,633,879 103,900 15.73 2 hrs 32 mins
15 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 1,615,608 103,544 15.60 2 hrs 32 mins
16 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 1,563,144 102,491 15.25 2 hrs 34 mins
17 Tesla P40
GP102GL [Tesla P40] 11760
Nvidia GP102GL 1,506,547 100,723 14.96 2 hrs 36 mins
18 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 1,454,450 100,068 14.53 2 hrs 39 mins
19 TITAN X
GP102 [TITAN X] 6144
Nvidia GP102 1,443,058 99,368 14.52 2 hrs 39 mins
20 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 1,400,610 98,888 14.16 2 hrs 42 mins
21 GeForce RTX 3070 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 1,339,662 97,174 13.79 2 hrs 44 mins
22 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 1,307,351 95,383 13.71 2 hrs 45 mins
23 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,278,273 94,477 13.53 2 hrs 46 mins
24 GeForce RTX 3060 Mobile / Max-Q
GA106M [GeForce RTX 3060 Mobile / Max-Q]
Nvidia GA106M 1,195,573 93,669 12.76 2 hrs 53 mins
25 GeForce RTX 3060
GA106 [GeForce RTX 3060]
Nvidia GA106 1,138,482 91,976 12.38 2 hrs 56 mins
26 Quadro P5000
GP104GL [Quadro P5000]
Nvidia GP104GL 1,028,479 82,135 12.52 2 hrs 55 mins
27 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 992,296 87,926 11.29 2 hrs 8 mins
28 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 973,661 71,463 13.62 2 hrs 46 mins
29 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 969,299 87,222 11.11 2 hrs 10 mins
30 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 924,486 85,666 10.79 2 hrs 13 mins
31 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 902,504 85,128 10.60 2 hrs 16 mins
32 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 742,976 63,840 11.64 2 hrs 4 mins
33 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 713,685 79,428 8.99 3 hrs 40 mins
34 GeForce GTX 980
GM204 [GeForce GTX 980] 4612
Nvidia GM204 648,881 76,477 8.48 3 hrs 50 mins
35 Tesla P4
GP104GL [Tesla P4] 5704
Nvidia GP104GL 633,627 75,683 8.37 3 hrs 52 mins
36 GeForce GTX 1650
TU117 [GeForce GTX 1650] 3091
Nvidia TU117 516,669 71,206 7.26 3 hrs 18 mins
37 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 453,265 67,737 6.69 4 hrs 35 mins
38 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 430,781 66,548 6.47 4 hrs 42 mins
39 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 420,615 64,213 6.55 4 hrs 40 mins
40 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 417,424 60,217 6.93 3 hrs 28 mins
41 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 395,819 64,660 6.12 4 hrs 55 mins
42 P104-100
GP104 [P104-100]
Nvidia GP104 255,328 56,126 4.55 5 hrs 17 mins
43 GeForce GTX 1050 Ti Mobile
GP107M [GeForce GTX 1050 Ti Mobile]
Nvidia GP107M 192,775 50,998 3.78 6 hrs 21 mins
44 P106-100
GP106 [P106-100]
Nvidia GP106 192,693 51,272 3.76 6 hrs 23 mins
45 GeForce GT 1030
GP108 [GeForce GT 1030] 1127
Nvidia GP108 116,018 43,017 2.70 9 hrs 54 mins
46 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 86,161 32,986 2.61 9 hrs 11 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Tuesday, 26 October 2021 06:56:06

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