PROJECT #18102 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 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 3,804,665 242,195 15.71 2 hrs 32 mins
2 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 3,227,149 138,287 23.34 1 hrs 2 mins
3 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 3,082,889 140,918 21.88 1 hrs 6 mins
4 GeForce RTX 3090
GA102 [GeForce RTX 3090]
Nvidia GA102 2,905,665 129,863 22.37 1 hrs 4 mins
5 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 2,715,413 134,960 20.12 1 hrs 12 mins
6 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 2,586,347 130,476 19.82 1 hrs 13 mins
7 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,220,384 114,768 19.35 1 hrs 14 mins
8 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 2,047,645 120,066 17.05 1 hrs 24 mins
9 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,022,156 116,790 17.31 1 hrs 23 mins
10 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 1,691,559 113,857 14.86 2 hrs 37 mins
11 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 1,665,600 104,733 15.90 2 hrs 31 mins
12 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 1,619,462 114,337 14.16 2 hrs 42 mins
13 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 1,600,560 113,681 14.08 2 hrs 42 mins
14 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 1,529,864 108,866 14.05 2 hrs 42 mins
15 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 1,512,941 112,045 13.50 2 hrs 47 mins
16 GeForce RTX 3070 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 1,302,047 99,497 13.09 2 hrs 50 mins
17 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,189,275 102,199 11.64 2 hrs 4 mins
18 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 617,241 76,472 8.07 3 hrs 58 mins
19 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 520,636 78,300 6.65 4 hrs 37 mins
20 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 313,041 59,826 5.23 5 hrs 35 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