PROJECT #18110 RESEARCH FOR CANCER
FOLDING PERFORMANCE PROFILE
PROJECT SUMMARY
18110: 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: 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 Friday, 03 February 2023 06:15:11
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 3080 Ti GA102 [GeForce RTX 3080 Ti] |
Nvidia | GA102 | 4,456,622 | 235,517 | 18.92 | 1 hrs 16 mins |
2 | GeForce RTX 3090 GA102 [GeForce RTX 3090] |
Nvidia | GA102 | 3,934,244 | 224,165 | 17.55 | 1 hrs 22 mins |
3 | GeForce RTX 3080 Lite Hash Rate GA102 [GeForce RTX 3080 Lite Hash Rate] |
Nvidia | GA102 | 3,924,038 | 219,931 | 17.84 | 1 hrs 21 mins |
4 | GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448 |
Nvidia | TU102 | 3,899,506 | 225,323 | 17.31 | 1 hrs 23 mins |
5 | GeForce RTX 2080 Ti TU102 [GeForce RTX 2080 Ti] M 13448 |
Nvidia | TU102 | 3,527,948 | 218,378 | 16.16 | 1 hrs 29 mins |
6 | GeForce RTX 3080 GA102 [GeForce RTX 3080] |
Nvidia | GA102 | 3,359,584 | 214,068 | 15.69 | 2 hrs 32 mins |
7 | GeForce RTX 3070 Ti GA104 [GeForce RTX 3070 Ti] |
Nvidia | GA104 | 3,252,957 | 213,454 | 15.24 | 2 hrs 34 mins |
8 | GeForce RTX 2080 Rev. A TU104 [GeForce RTX 2080 Rev. A] 10068 |
Nvidia | TU104 | 2,852,604 | 204,523 | 13.95 | 2 hrs 43 mins |
9 | TITAN Xp GP102 [TITAN Xp] 12150 |
Nvidia | GP102 | 2,746,551 | 201,709 | 13.62 | 2 hrs 46 mins |
10 | GeForce RTX 2080 TU104 [GeForce RTX 2080] |
Nvidia | TU104 | 2,662,490 | 199,933 | 13.32 | 2 hrs 48 mins |
11 | GeForce RTX 3070 GA104 [GeForce RTX 3070] |
Nvidia | GA104 | 2,577,512 | 193,726 | 13.30 | 2 hrs 48 mins |
12 | GeForce RTX 3060 Ti Lite Hash Rate GA104 [GeForce RTX 3060 Ti Lite Hash Rate] |
Nvidia | GA104 | 2,522,953 | 194,639 | 12.96 | 2 hrs 51 mins |
13 | GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380 |
Nvidia | GP102 | 2,353,564 | 191,678 | 12.28 | 2 hrs 57 mins |
14 | GeForce RTX 2080 Super TU104 [GeForce RTX 2080 SUPER] |
Nvidia | TU104 | 2,300,692 | 190,533 | 12.08 | 2 hrs 59 mins |
15 | GeForce RTX 3060 Ti GA104 [GeForce RTX 3060 Ti] |
Nvidia | GA104 | 2,200,057 | 186,423 | 11.80 | 2 hrs 2 mins |
16 | GeForce RTX 2070 Rev. A TU106 [GeForce RTX 2070 Rev. A] M 7465 |
Nvidia | TU106 | 1,990,911 | 181,274 | 10.98 | 2 hrs 11 mins |
17 | Radeon RX 6900 XT Navi 21 [Radeon RX 6900 XT] |
AMD | Navi 21 | 1,955,083 | 180,066 | 10.86 | 2 hrs 13 mins |
18 | GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] 8218 |
Nvidia | TU104 | 1,915,927 | 179,008 | 10.70 | 2 hrs 15 mins |
19 | GeForce RTX 3070 Mobile / Max-Q 8GB/16GB GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB] |
Nvidia | GA104M | 1,729,513 | 173,017 | 10.00 | 2 hrs 24 mins |
20 | GeForce RTX 3060 Lite Hash Rate GA106 [GeForce RTX 3060 Lite Hash Rate] |
Nvidia | GA106 | 1,719,485 | 173,009 | 9.94 | 2 hrs 25 mins |
21 | Quadro RTX 4000 TU104GL [Quadro RTX 4000] |
Nvidia | TU104GL | 1,709,977 | 170,206 | 10.05 | 2 hrs 23 mins |
22 | GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER] |
Nvidia | TU106 | 1,644,758 | 168,843 | 9.74 | 2 hrs 28 mins |
23 | GeForce RTX 3060 GA106 [GeForce RTX 3060] |
Nvidia | GA106 | 1,626,538 | 161,665 | 10.06 | 2 hrs 23 mins |
24 | GeForce GTX 1080 GP104 [GeForce GTX 1080] 8873 |
Nvidia | GP104 | 1,513,785 | 169,643 | 8.92 | 3 hrs 41 mins |
25 | GeForce RTX 2060 TU104 [GeForce RTX 2060] |
Nvidia | TU104 | 1,470,821 | 163,941 | 8.97 | 3 hrs 41 mins |
26 | GeForce RTX 2070 TU106 [GeForce RTX 2070] M 6497 |
Nvidia | TU106 | 1,455,566 | 146,030 | 9.97 | 2 hrs 24 mins |
27 | GeForce GTX 1070 Ti GP104 [GeForce GTX 1070 Ti] 8186 |
Nvidia | GP104 | 1,454,450 | 163,341 | 8.90 | 3 hrs 42 mins |
28 | GeForce RTX 2060 TU106 [Geforce RTX 2060] |
Nvidia | TU106 | 1,439,716 | 149,835 | 9.61 | 2 hrs 30 mins |
29 | GeForce RTX 2060 Mobile TU106M [GeForce RTX 2060 Mobile] |
Nvidia | TU106M | 1,280,181 | 157,233 | 8.14 | 3 hrs 57 mins |
30 | GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463 |
Nvidia | GP104 | 1,228,003 | 154,238 | 7.96 | 3 hrs 1 mins |
31 | Radeon VII Vega 20 [Radeon VII] 13,284 |
AMD | Vega 20 | 1,185,846 | 152,683 | 7.77 | 3 hrs 5 mins |
32 | GeForce GTX 1660 Ti TU116 [GeForce GTX 1660 Ti] |
Nvidia | TU116 | 1,136,031 | 150,415 | 7.55 | 3 hrs 11 mins |
33 | Radeon RX 5600 OEM/5600 XT/5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT] |
AMD | Navi 10 | 1,135,639 | 146,459 | 7.75 | 3 hrs 6 mins |
34 | GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER] |
Nvidia | TU116 | 1,059,817 | 145,974 | 7.26 | 3 hrs 18 mins |
35 | GeForce RTX 2060 Mobile / Max-Q TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550 |
Nvidia | TU106M | 993,245 | 140,532 | 7.07 | 3 hrs 24 mins |
36 | GeForce GTX 1660 TU116 [GeForce GTX 1660] |
Nvidia | TU116 | 907,206 | 139,369 | 6.51 | 4 hrs 41 mins |
37 | GeForce RTX 3050 Ti Mobile GA107M [GeForce RTX 3050 Ti Mobile] |
Nvidia | GA107M | 904,596 | 139,695 | 6.48 | 4 hrs 42 mins |
38 | Radeon RX Vega 56/64 Vega 10 XL/XT [Radeon RX Vega 56/64] |
AMD | Vega 10 XL/XT | 856,264 | 136,371 | 6.28 | 4 hrs 49 mins |
39 | GeForce GTX 980 GM204 [GeForce GTX 980] 4612 |
Nvidia | GM204 | 815,728 | 134,693 | 6.06 | 4 hrs 58 mins |
40 | GeForce GTX 1070 Mobile GP104BM [GeForce GTX 1070 Mobile] 6463 |
Nvidia | GP104BM | 790,489 | 133,154 | 5.94 | 4 hrs 3 mins |
41 | GeForce GTX 1060 6GB GP106 [GeForce GTX 1060 6GB] 4372 |
Nvidia | GP106 | 688,845 | 126,931 | 5.43 | 4 hrs 25 mins |
42 | GeForce GTX 1060 3GB GP106 [GeForce GTX 1060 3GB] 3935 |
Nvidia | GP106 | 658,558 | 125,040 | 5.27 | 5 hrs 33 mins |
43 | GeForce GTX 970 GM204 [GeForce GTX 970] 3494 |
Nvidia | GM204 | 542,428 | 118,251 | 4.59 | 5 hrs 14 mins |
44 | GeForce GTX 1650 Mobile / Max-Q TU117M [GeForce GTX 1650 Mobile / Max-Q] |
Nvidia | TU117M | 486,680 | 113,201 | 4.30 | 6 hrs 35 mins |
45 | Quadro T2000 Mobile / Max-Q TU117GLM [Quadro T2000 Mobile / Max-Q] |
Nvidia | TU117GLM | 441,697 | 105,528 | 4.19 | 6 hrs 44 mins |
46 | Radeon RX 470/480/570/580/590 Ellesmere XT [Radeon RX 470/480/570/580/590] |
AMD | Ellesmere XT | 423,800 | 108,345 | 3.91 | 6 hrs 8 mins |
47 | GeForce GTX 960 GM206 [GeForce GTX 960] 2308 |
Nvidia | GM206 | 350,824 | 101,943 | 3.44 | 7 hrs 58 mins |
48 | P104-100 GP104 [P104-100] |
Nvidia | GP104 | 330,338 | 99,791 | 3.31 | 7 hrs 15 mins |
49 | P106-090 GP106 [P106-090] |
Nvidia | GP106 | 281,205 | 94,541 | 2.97 | 8 hrs 4 mins |
50 | P106-100 GP106 [P106-100] |
Nvidia | GP106 | 261,757 | 92,107 | 2.84 | 8 hrs 27 mins |
51 | GeForce GTX 680 GK104 [GeForce GTX 680] 3250 |
Nvidia | GK104 | 252,388 | 90,990 | 2.77 | 9 hrs 39 mins |
52 | GeForce GTX 950 GM206 [GeForce GTX 950] 1572 |
Nvidia | GM206 | 242,754 | 89,469 | 2.71 | 9 hrs 51 mins |
53 | GeForce GTX 690 GK104 [GeForce GTX 690] 3130 |
Nvidia | GK104 | 233,902 | 88,837 | 2.63 | 9 hrs 7 mins |
54 | GeForce GTX 670/GTX 760Ti OEM GK104 [GeForce GTX 670/GTX 760Ti OEM] 2634 |
Nvidia | GK104 | 215,070 | 86,767 | 2.48 | 10 hrs 41 mins |
55 | GeForce GTX 660 Ti GK104 [GeForce GTX 660 Ti] 2634 |
Nvidia | GK104 | 212,720 | 83,509 | 2.55 | 9 hrs 25 mins |
56 | GeForce GTX 1050 Ti Mobile GP107M [GeForce GTX 1050 Ti Mobile] |
Nvidia | GP107M | 190,905 | 83,069 | 2.30 | 10 hrs 27 mins |
57 | GeForce GTX 750 Ti GM107 [GeForce GTX 750 Ti] 1389 |
Nvidia | GM107 | 161,008 | 78,401 | 2.05 | 12 hrs 41 mins |
58 | Quadro P1000 GP107GL [Quadro P1000] |
Nvidia | GP107GL | 145,858 | 75,795 | 1.92 | 12 hrs 28 mins |
59 | Quadro K5000 GK104 [Quadro K5000] |
Nvidia | GK104 | 142,677 | 74,896 | 1.91 | 13 hrs 36 mins |
60 | Quadro K2200 GM107GL [Quadro K2200] |
Nvidia | GM107GL | 136,327 | 74,263 | 1.84 | 13 hrs 4 mins |
61 | Radeon RX Vega M XL [Radeon RX Vega M XL] |
AMD | Vega | 135,524 | 65,523 | 2.07 | 12 hrs 36 mins |
62 | Quadro P620 GP107GL [Quadro P620] |
Nvidia | GP107GL | 132,443 | 73,516 | 1.80 | 13 hrs 19 mins |
63 | GTX 650 Ti Boost GK106 [GTX 650 Ti Boost] |
Nvidia | GK106 | 120,162 | 71,200 | 1.69 | 14 hrs 13 mins |
64 | GeForce GT 1030 GP108 [GeForce GT 1030] 1127 |
Nvidia | GP108 | 104,059 | 65,350 | 1.59 | 15 hrs 4 mins |
65 | Radeon RX Vega gfx902 raven [Radeon RX Vega gfx902] |
AMD | raven | 100,485 | 67,320 | 1.49 | 16 hrs 5 mins |
66 | Quadro K1200 GM107GL [Quadro K1200] |
Nvidia | GM107GL | 95,020 | 65,809 | 1.44 | 17 hrs 37 mins |
67 | GeForce GTX 950M GM107 [GeForce GTX 950M] 1439 |
Nvidia | GM107 | 86,824 | 59,922 | 1.45 | 17 hrs 34 mins |
68 | GeForce GTX 960M GM107 [GeForce GTX 960M] 1439 |
Nvidia | GM107 | 65,434 | 51,851 | 1.26 | 19 hrs 1 mins |
69 | GeForce GT 730 GK208B [GeForce GT 730] 692.7 |
Nvidia | GK208B | 34,602 | 45,062 | 0.77 | 31 hrs 15 mins |
70 | Quadro NVS 510 GK107 [Quadro NVS 510] |
Nvidia | GK107 | 16,251 | 45,000 | 0.36 | 66 hrs 27 mins |
PROJECT FOLDING PPD AVERAGES BY CPU BETA
PPDDB data as of Friday, 03 February 2023 06:15:11
Rank Project |
CPU Model |
Logical Processors (LP) |
PPD-PLP AVG PPD per 1 LP |
ALL LP-PPD (Estimated) |
Make |
---|