PROJECT #18115 RESEARCH FOR CANCER
FOLDING PERFORMANCE PROFILE
PROJECT SUMMARY
18110/5: simulation for the complex of KRas(G12D)-GDP-KRpep-2d, with the initial structure of peptide ligand in the known binding position, exploring the binding dynamics of the complex and binding poses. 18111/6: binding simulation for the complex of KRas(G12D)-GDP-KRpep-2d, with the initial structure of peptide ligand 35A away from the protein center, exploring if the correct binding pose will be observed through the simulation. 18112-18114: binding simulation for the complex of KRas(G12D)-GDP-peptide, the binding pocket and binding pose is unknown.
We start with 100 randomly sampled initial structures, in each structure, the ligand center is 40A away from the protein center, with random direction and rotation.
The simulation is aimed to identify potential binding pocket and binding poses of the peptide.
The interactions between KRas protein and the peptide would provide insights in designing small molecules that bind with KRas. 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/ All data is being made publicly available in real time at https://console.cloud.google.com/storage/browser/stxfah-bucket.
PROJECT INFO
Manager(s): Rafal Wiewiora
Institution: Roivant Sciences (Silicon Therapeutics)
Project URL: roivant.com
PROJECT WORK UNIT SUMMARY
Atoms: 38,533
Core: OPENMM_22
Status: Public
PROJECT FOLDING PPD AVERAGES BY GPU
PPDDB data as of Tuesday, 07 February 2023 12:14:55
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 | 4,445,842 | 235,209 | 18.90 | 1 hrs 16 mins |
2 | GeForce RTX 3080 Ti GA102 [GeForce RTX 3080 Ti] |
Nvidia | GA102 | 4,416,649 | 234,282 | 18.85 | 1 hrs 16 mins |
3 | GeForce RTX 3080 Lite Hash Rate GA102 [GeForce RTX 3080 Lite Hash Rate] |
Nvidia | GA102 | 4,167,134 | 223,169 | 18.67 | 1 hrs 17 mins |
4 | GeForce RTX 2080 Ti TU102 [GeForce RTX 2080 Ti] M 13448 |
Nvidia | TU102 | 3,647,695 | 221,200 | 16.49 | 1 hrs 27 mins |
5 | GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448 |
Nvidia | TU102 | 3,607,599 | 220,604 | 16.35 | 1 hrs 28 mins |
6 | GeForce RTX 3080 GA102 [GeForce RTX 3080] |
Nvidia | GA102 | 3,323,899 | 211,526 | 15.71 | 2 hrs 32 mins |
7 | GeForce RTX 3070 GA104 [GeForce RTX 3070] |
Nvidia | GA104 | 3,085,106 | 209,860 | 14.70 | 2 hrs 38 mins |
8 | GeForce RTX 3070 Ti GA104 [GeForce RTX 3070 Ti] |
Nvidia | GA104 | 3,065,310 | 209,567 | 14.63 | 2 hrs 38 mins |
9 | GeForce RTX 2080 Rev. A TU104 [GeForce RTX 2080 Rev. A] 10068 |
Nvidia | TU104 | 2,986,164 | 207,541 | 14.39 | 2 hrs 40 mins |
10 | GeForce RTX 3060 Ti GA104 [GeForce RTX 3060 Ti] |
Nvidia | GA104 | 2,715,063 | 195,815 | 13.87 | 2 hrs 44 mins |
11 | GeForce RTX 3060 Ti Lite Hash Rate GA104 [GeForce RTX 3060 Ti Lite Hash Rate] |
Nvidia | GA104 | 2,584,162 | 196,956 | 13.12 | 2 hrs 50 mins |
12 | GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380 |
Nvidia | GP102 | 2,412,501 | 192,633 | 12.52 | 2 hrs 55 mins |
13 | GeForce RTX 2080 Super TU104 [GeForce RTX 2080 SUPER] |
Nvidia | TU104 | 2,249,472 | 188,307 | 11.95 | 2 hrs 1 mins |
14 | GeForce RTX 3070 Lite Hash Rate GA104 [GeForce RTX 3070 Lite Hash Rate] |
Nvidia | GA104 | 2,221,235 | 185,255 | 11.99 | 2 hrs 0 mins |
15 | GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] 8218 |
Nvidia | TU104 | 2,132,808 | 185,077 | 11.52 | 2 hrs 5 mins |
16 | GeForce RTX 2070 Rev. A TU106 [GeForce RTX 2070 Rev. A] M 7465 |
Nvidia | TU106 | 2,124,810 | 185,561 | 11.45 | 2 hrs 6 mins |
17 | GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER] |
Nvidia | TU106 | 1,936,656 | 178,839 | 10.83 | 2 hrs 13 mins |
18 | GeForce RTX 3060 GA106 [GeForce RTX 3060] |
Nvidia | GA106 | 1,846,844 | 176,768 | 10.45 | 2 hrs 18 mins |
19 | GeForce RTX 3070 Mobile / Max-Q 8GB/16GB GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB] |
Nvidia | GA104M | 1,825,548 | 175,899 | 10.38 | 2 hrs 19 mins |
20 | GeForce RTX 3060 Mobile / Max-Q GA106M [GeForce RTX 3060 Mobile / Max-Q] |
Nvidia | GA106M | 1,792,624 | 175,520 | 10.21 | 2 hrs 21 mins |
21 | GeForce RTX 3060 Lite Hash Rate GA106 [GeForce RTX 3060 Lite Hash Rate] |
Nvidia | GA106 | 1,684,962 | 171,419 | 9.83 | 2 hrs 26 mins |
22 | GeForce RTX 2060 TU104 [GeForce RTX 2060] |
Nvidia | TU104 | 1,638,616 | 169,866 | 9.65 | 2 hrs 29 mins |
23 | GeForce GTX 1070 Ti GP104 [GeForce GTX 1070 Ti] 8186 |
Nvidia | GP104 | 1,480,603 | 164,511 | 9.00 | 3 hrs 40 mins |
24 | GeForce RTX 2060 Mobile TU106M [GeForce RTX 2060 Mobile] |
Nvidia | TU106M | 1,262,619 | 156,366 | 8.07 | 3 hrs 58 mins |
25 | GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463 |
Nvidia | GP104 | 1,234,071 | 154,755 | 7.97 | 3 hrs 1 mins |
26 | GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER] |
Nvidia | TU116 | 1,070,206 | 146,942 | 7.28 | 3 hrs 18 mins |
27 | RTX A2000 Mobile GA107GLM [RTX A2000 Mobile] |
Nvidia | GA107GLM | 910,477 | 140,300 | 6.49 | 4 hrs 42 mins |
28 | GeForce GTX 1070 Mobile GP104BM [GeForce GTX 1070 Mobile] 6463 |
Nvidia | GP104BM | 753,833 | 128,690 | 5.86 | 4 hrs 6 mins |
29 | GeForce GTX 1660 TU116 [GeForce GTX 1660] |
Nvidia | TU116 | 738,592 | 130,577 | 5.66 | 4 hrs 15 mins |
30 | GeForce GTX 970 GM204 [GeForce GTX 970] 3494 |
Nvidia | GM204 | 638,524 | 124,211 | 5.14 | 5 hrs 40 mins |
31 | GeForce GTX 1060 Mobile GP106M [GeForce GTX 1060 Mobile] |
Nvidia | GP106M | 619,811 | 123,304 | 5.03 | 5 hrs 46 mins |
32 | GeForce GTX 1650 Ti Mobile TU117M [GeForce GTX 1650 Ti Mobile] |
Nvidia | TU117M | 573,352 | 114,352 | 5.01 | 5 hrs 47 mins |
33 | GeForce GTX 1650 TU117 [GeForce GTX 1650] |
Nvidia | TU117 | 528,403 | 116,810 | 4.52 | 5 hrs 18 mins |
34 | GeForce GTX 960 GM206 [GeForce GTX 960] 2308 |
Nvidia | GM206 | 366,324 | 103,629 | 3.53 | 7 hrs 47 mins |
35 | P106-100 GP106 [P106-100] |
Nvidia | GP106 | 262,359 | 92,309 | 2.84 | 8 hrs 27 mins |
36 | GeForce GTX 950 GM206 [GeForce GTX 950] 1572 |
Nvidia | GM206 | 244,022 | 89,032 | 2.74 | 9 hrs 45 mins |
37 | Quadro P1000 GP107GL [Quadro P1000] |
Nvidia | GP107GL | 149,195 | 76,200 | 1.96 | 12 hrs 15 mins |
38 | GeForce GT 730 GK208B [GeForce GT 730] 692.7 |
Nvidia | GK208B | 37,477 | 45,000 | 0.83 | 29 hrs 49 mins |
PROJECT FOLDING PPD AVERAGES BY CPU BETA
PPDDB data as of Tuesday, 07 February 2023 12:14:55
Rank Project |
CPU Model |
Logical Processors (LP) |
PPD-PLP AVG PPD per 1 LP |
ALL LP-PPD (Estimated) |
Make |
---|