PROJECT #18106 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: 19,678
Core: OPENMM_22
Status: Public
PROJECT FOLDING PPD AVERAGES BY GPU
PPDDB data as of Tuesday, 07 February 2023 06:14:51
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 | 3,002,499 | 127,812 | 23.49 | 1 hrs 1 mins |
2 | GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448 |
Nvidia | TU102 | 2,991,841 | 126,355 | 23.68 | 1 hrs 1 mins |
3 | GeForce RTX 2060 TU104 [GeForce RTX 2060] |
Nvidia | TU104 | 2,491,744 | 158,159 | 15.75 | 2 hrs 31 mins |
4 | TITAN Xp GP102 [TITAN Xp] 12150 |
Nvidia | GP102 | 2,243,098 | 115,656 | 19.39 | 1 hrs 14 mins |
5 | GeForce RTX 3080 GA102 [GeForce RTX 3080] |
Nvidia | GA102 | 2,152,057 | 114,490 | 18.80 | 1 hrs 17 mins |
6 | GeForce RTX 3070 GA104 [GeForce RTX 3070] |
Nvidia | GA104 | 1,977,802 | 110,888 | 17.84 | 1 hrs 21 mins |
7 | GeForce RTX 2070 Rev. A TU106 [GeForce RTX 2070 Rev. A] M 7465 |
Nvidia | TU106 | 1,779,827 | 107,119 | 16.62 | 1 hrs 27 mins |
8 | GeForce RTX 2080 TU104 [GeForce RTX 2080] |
Nvidia | TU104 | 1,480,044 | 100,488 | 14.73 | 2 hrs 38 mins |
9 | GeForce RTX 2080 Rev. A TU104 [GeForce RTX 2080 Rev. A] 10068 |
Nvidia | TU104 | 1,474,597 | 100,679 | 14.65 | 2 hrs 38 mins |
10 | GeForce RTX 3060 Ti GA104 [GeForce RTX 3060 Ti] |
Nvidia | GA104 | 1,458,181 | 100,376 | 14.53 | 2 hrs 39 mins |
11 | GeForce GTX 960 GM206 [GeForce GTX 960] 2308 |
Nvidia | GM206 | 82,999 | 21,637 | 3.84 | 6 hrs 15 mins |
12 | GeForce GT 1030 GP108 [GeForce GT 1030] 1127 |
Nvidia | GP108 | 65,465 | 35,818 | 1.83 | 13 hrs 8 mins |
PROJECT FOLDING PPD AVERAGES BY CPU BETA
PPDDB data as of Tuesday, 07 February 2023 06:14:51
Rank Project |
CPU Model |
Logical Processors (LP) |
PPD-PLP AVG PPD per 1 LP |
ALL LP-PPD (Estimated) |
Make |
---|