PROJECT #18103 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: 19,724

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Friday, 30 July 2021 00:39:48

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 3,734,565 240,593 15.52 2 hrs 33 mins
2 GeForce RTX 3090
GA102 [GeForce RTX 3090]
Nvidia GA102 2,800,816 123,411 22.70 1 hrs 3 mins
3 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 2,761,342 121,223 22.78 1 hrs 3 mins
4 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 2,334,678 116,796 19.99 1 hrs 12 mins
5 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 2,307,000 116,746 19.76 1 hrs 13 mins
6 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 2,227,726 114,322 19.49 1 hrs 14 mins
7 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,178,502 114,491 19.03 1 hrs 16 mins
8 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 2,086,784 111,941 18.64 1 hrs 17 mins
9 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 1,901,808 108,934 17.46 1 hrs 22 mins
10 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 1,896,324 109,322 17.35 1 hrs 23 mins
11 RTX A4000
GA104GL [RTX A4000]
GA104GL 1,821,669 108,038 16.86 1 hrs 25 mins
12 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 1,745,685 105,829 16.50 1 hrs 27 mins
13 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 1,680,904 105,056 16.00 1 hrs 30 mins
14 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 1,583,920 102,779 15.41 2 hrs 33 mins
15 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 1,561,774 102,388 15.25 2 hrs 34 mins
16 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 1,497,867 101,153 14.81 2 hrs 37 mins
17 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 1,455,273 100,114 14.54 2 hrs 39 mins
18 GeForce RTX 3060 Lite Hash Rate
GA106 [GeForce RTX 3060 Lite Hash Rate]
Nvidia GA106 1,424,264 99,448 14.32 2 hrs 41 mins
19 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,395,153 98,719 14.13 2 hrs 42 mins
20 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 1,342,027 96,268 13.94 2 hrs 43 mins
21 GeForce RTX 3060
GA106 [GeForce RTX 3060]
Nvidia GA106 1,300,974 96,358 13.50 2 hrs 47 mins
22 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,055,652 89,963 11.73 2 hrs 3 mins
23 Quadro RTX 6000/8000
TU102GL [Quadro RTX 6000/8000]
Nvidia TU102GL 1,052,537 90,148 11.68 2 hrs 3 mins
24 GeForce RTX 3070 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 1,044,916 86,962 12.02 2 hrs 60 mins
25 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,014,937 89,072 11.39 2 hrs 6 mins
26 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 871,864 68,742 12.68 2 hrs 54 mins
27 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 806,255 79,031 10.20 2 hrs 21 mins
28 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 580,126 73,450 7.90 3 hrs 2 mins
29 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 563,940 73,103 7.71 3 hrs 7 mins
30 GeForce GTX 1650
TU117 [GeForce GTX 1650] 3091
Nvidia TU117 516,284 71,418 7.23 3 hrs 19 mins
31 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 472,877 68,595 6.89 3 hrs 29 mins
32 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 442,191 67,153 6.58 4 hrs 39 mins
33 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 357,607 63,113 5.67 4 hrs 14 mins
34 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 272,010 56,698 4.80 5 hrs 0 mins
35 P104-100
GP104 [P104-100]
Nvidia GP104 254,454 56,106 4.54 5 hrs 18 mins
36 GeForce GTX 1050 Ti Mobile
GP107M [GeForce GTX 1050 Ti Mobile]
Nvidia GP107M 231,179 54,510 4.24 6 hrs 40 mins
37 P106-100
GP106 [P106-100]
Nvidia GP106 199,348 51,700 3.86 6 hrs 13 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Friday, 30 July 2021 00:39:48

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