PROJECT #18113 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: 42,674
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 3090 GA102 [GeForce RTX 3090] |
Nvidia | GA102 | 4,867,528 | 253,474 | 19.20 | 1 hrs 15 mins |
2 | GeForce RTX 3080 Ti GA102 [GeForce RTX 3080 Ti] |
Nvidia | GA102 | 4,390,875 | 242,481 | 18.11 | 1 hrs 20 mins |
3 | GeForce RTX 3080 Lite Hash Rate GA102 [GeForce RTX 3080 Lite Hash Rate] |
Nvidia | GA102 | 4,176,286 | 239,738 | 17.42 | 1 hrs 23 mins |
4 | GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448 |
Nvidia | TU102 | 3,614,403 | 225,463 | 16.03 | 1 hrs 30 mins |
5 | GeForce RTX 2080 Ti TU102 [GeForce RTX 2080 Ti] M 13448 |
Nvidia | TU102 | 3,432,614 | 224,958 | 15.26 | 2 hrs 34 mins |
6 | GeForce RTX 3070 Ti GA104 [GeForce RTX 3070 Ti] |
Nvidia | GA104 | 3,203,084 | 220,041 | 14.56 | 2 hrs 39 mins |
7 | GeForce RTX 3070 GA104 [GeForce RTX 3070] |
Nvidia | GA104 | 3,050,894 | 215,212 | 14.18 | 2 hrs 42 mins |
8 | GeForce RTX 3080 GA102 [GeForce RTX 3080] |
Nvidia | GA102 | 2,960,712 | 207,361 | 14.28 | 2 hrs 41 mins |
9 | GeForce RTX 2080 Rev. A TU104 [GeForce RTX 2080 Rev. A] 10068 |
Nvidia | TU104 | 2,909,728 | 214,051 | 13.59 | 2 hrs 46 mins |
10 | TITAN Xp GP102 [TITAN Xp] 12150 |
Nvidia | GP102 | 2,899,045 | 213,984 | 13.55 | 2 hrs 46 mins |
11 | GeForce RTX 3060 Ti GA104 [GeForce RTX 3060 Ti] |
Nvidia | GA104 | 2,886,080 | 212,697 | 13.57 | 2 hrs 46 mins |
12 | GeForce RTX 3060 Ti Lite Hash Rate GA104 [GeForce RTX 3060 Ti Lite Hash Rate] |
Nvidia | GA104 | 2,814,142 | 211,126 | 13.33 | 2 hrs 48 mins |
13 | GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] 8218 |
Nvidia | TU104 | 2,503,359 | 202,802 | 12.34 | 2 hrs 57 mins |
14 | GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380 |
Nvidia | GP102 | 2,462,110 | 202,266 | 12.17 | 2 hrs 58 mins |
15 | Radeon RX 6800/6800 XT / 6900 XT Navi 21 [Radeon RX 6800/6800 XT / 6900 XT] |
AMD | Navi 21 | 2,371,156 | 199,482 | 11.89 | 2 hrs 1 mins |
16 | GeForce RTX 3070 Lite Hash Rate GA104 [GeForce RTX 3070 Lite Hash Rate] |
Nvidia | GA104 | 2,365,397 | 199,854 | 11.84 | 2 hrs 2 mins |
17 | GeForce RTX 2080 TU104 [GeForce RTX 2080] |
Nvidia | TU104 | 2,322,105 | 198,797 | 11.68 | 2 hrs 3 mins |
18 | GeForce RTX 2070 Rev. A TU106 [GeForce RTX 2070 Rev. A] M 7465 |
Nvidia | TU106 | 2,280,697 | 197,163 | 11.57 | 2 hrs 4 mins |
19 | GeForce RTX 2080 Super TU104 [GeForce RTX 2080 SUPER] |
Nvidia | TU104 | 2,277,879 | 197,184 | 11.55 | 2 hrs 5 mins |
20 | Radeon RX 6900 XT Navi 21 [Radeon RX 6900 XT] |
AMD | Navi 21 | 2,061,370 | 190,724 | 10.81 | 2 hrs 13 mins |
21 | GeForce RTX 3070 Mobile / Max-Q 8GB/16GB GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB] |
Nvidia | GA104M | 1,878,634 | 185,054 | 10.15 | 2 hrs 22 mins |
22 | GeForce RTX 3060 Mobile / Max-Q GA106M [GeForce RTX 3060 Mobile / Max-Q] |
Nvidia | GA106M | 1,855,690 | 185,133 | 10.02 | 2 hrs 24 mins |
23 | GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER] |
Nvidia | TU106 | 1,821,108 | 183,167 | 9.94 | 2 hrs 25 mins |
24 | GeForce RTX 3060 GA106 [GeForce RTX 3060] |
Nvidia | GA106 | 1,791,090 | 171,857 | 10.42 | 2 hrs 18 mins |
25 | GeForce RTX 2070 TU106 [GeForce RTX 2070] M 6497 |
Nvidia | TU106 | 1,763,328 | 181,440 | 9.72 | 2 hrs 28 mins |
26 | GeForce RTX 3060 Lite Hash Rate GA106 [GeForce RTX 3060 Lite Hash Rate] |
Nvidia | GA106 | 1,741,962 | 180,378 | 9.66 | 2 hrs 29 mins |
27 | GeForce GTX 1080 GP104 [GeForce GTX 1080] 8873 |
Nvidia | GP104 | 1,623,098 | 176,146 | 9.21 | 3 hrs 36 mins |
28 | GeForce RTX 2060 TU104 [GeForce RTX 2060] |
Nvidia | TU104 | 1,564,569 | 174,025 | 8.99 | 3 hrs 40 mins |
29 | GeForce RTX 2060 Mobile TU106M [GeForce RTX 2060 Mobile] |
Nvidia | TU106M | 1,474,556 | 171,343 | 8.61 | 3 hrs 47 mins |
30 | GeForce GTX 1070 Ti GP104 [GeForce GTX 1070 Ti] 8186 |
Nvidia | GP104 | 1,395,058 | 167,696 | 8.32 | 3 hrs 53 mins |
31 | Radeon VII Vega 20 [Radeon VII] 13,284 |
AMD | Vega 20 | 1,264,954 | 162,019 | 7.81 | 3 hrs 4 mins |
32 | GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463 |
Nvidia | GP104 | 1,252,836 | 161,681 | 7.75 | 3 hrs 6 mins |
33 | GeForce RTX 2060 Mobile / Max-Q TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550 |
Nvidia | TU106M | 1,167,885 | 146,237 | 7.99 | 3 hrs 0 mins |
34 | GeForce GTX 1660 Ti TU116 [GeForce GTX 1660 Ti] |
Nvidia | TU116 | 1,121,654 | 155,936 | 7.19 | 3 hrs 20 mins |
35 | Radeon RX 5600 OEM/5600 XT/5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT] |
AMD | Navi 10 | 1,015,285 | 144,037 | 7.05 | 3 hrs 24 mins |
36 | GeForce GTX 1660 TU116 [GeForce GTX 1660] |
Nvidia | TU116 | 1,010,470 | 150,597 | 6.71 | 4 hrs 35 mins |
37 | GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER] |
Nvidia | TU116 | 1,009,715 | 149,182 | 6.77 | 4 hrs 33 mins |
38 | Radeon RX Vega 56/64 Vega 10 XL/XT [Radeon RX Vega 56/64] |
AMD | Vega 10 XL/XT | 974,032 | 148,910 | 6.54 | 4 hrs 40 mins |
39 | RTX A2000 Mobile GA107GLM [RTX A2000 Mobile] |
Nvidia | GA107GLM | 962,400 | 148,781 | 6.47 | 4 hrs 43 mins |
40 | Radeon RX 6700/6700 XT / 6800M Navi 22 [Radeon RX 6700/6700 XT / 6800M] |
AMD | Navi 22 | 923,511 | 144,115 | 6.41 | 4 hrs 45 mins |
41 | GeForce RTX 3050 Ti Mobile GA107M [GeForce RTX 3050 Ti Mobile] |
Nvidia | GA107M | 833,086 | 138,520 | 6.01 | 4 hrs 59 mins |
42 | GeForce GTX 1060 6GB GP106 [GeForce GTX 1060 6GB] 4372 |
Nvidia | GP106 | 797,731 | 139,289 | 5.73 | 4 hrs 11 mins |
43 | GeForce GTX 980 GM204 [GeForce GTX 980] 4612 |
Nvidia | GM204 | 758,227 | 136,763 | 5.54 | 4 hrs 20 mins |
44 | GeForce GTX 1060 3GB GP106 [GeForce GTX 1060 3GB] 3935 |
Nvidia | GP106 | 750,876 | 136,379 | 5.51 | 4 hrs 22 mins |
45 | GeForce GTX 1070 Mobile GP104BM [GeForce GTX 1070 Mobile] 6463 |
Nvidia | GP104BM | 708,010 | 133,376 | 5.31 | 5 hrs 31 mins |
46 | GeForce GTX 1060 Mobile GP106M [GeForce GTX 1060 Mobile] |
Nvidia | GP106M | 686,247 | 132,768 | 5.17 | 5 hrs 39 mins |
47 | GeForce GTX 970 GM204 [GeForce GTX 970] 3494 |
Nvidia | GM204 | 642,895 | 129,571 | 4.96 | 5 hrs 50 mins |
48 | Radeon RX 5500/5500M / Pro 5500M Navi 14 [Radeon RX 5500/5500M / Pro 5500M] |
AMD | Navi 14 | 439,484 | 107,144 | 4.10 | 6 hrs 51 mins |
49 | Radeon R9 Fury X Fiji XT [Radeon R9 Fury X] |
AMD | Fiji XT | 419,670 | 101,374 | 4.14 | 6 hrs 48 mins |
50 | Radeon RX 470/480/570/580/590 Ellesmere XT [Radeon RX 470/480/570/580/590] |
AMD | Ellesmere XT | 403,967 | 108,703 | 3.72 | 6 hrs 27 mins |
51 | GeForce GTX 960 GM206 [GeForce GTX 960] 2308 |
Nvidia | GM206 | 362,041 | 106,787 | 3.39 | 7 hrs 5 mins |
52 | GeForce GTX 770 GK104 [GeForce GTX 770] 3213 |
Nvidia | GK104 | 323,958 | 103,164 | 3.14 | 8 hrs 39 mins |
53 | P106-090 GP106 [P106-090] |
Nvidia | GP106 | 289,136 | 99,327 | 2.91 | 8 hrs 15 mins |
54 | P106-100 GP106 [P106-100] |
Nvidia | GP106 | 279,246 | 98,203 | 2.84 | 8 hrs 26 mins |
55 | P104-100 GP104 [P104-100] |
Nvidia | GP104 | 277,616 | 98,104 | 2.83 | 8 hrs 29 mins |
56 | GeForce GTX 950 GM206 [GeForce GTX 950] 1572 |
Nvidia | GM206 | 274,690 | 97,941 | 2.80 | 9 hrs 33 mins |
57 | GeForce GTX 680 GK104 [GeForce GTX 680] 3250 |
Nvidia | GK104 | 255,368 | 95,283 | 2.68 | 9 hrs 57 mins |
58 | Radeon HD 7800 Pitcairn [Radeon HD 7800] |
AMD | Pitcairn | 194,941 | 85,150 | 2.29 | 10 hrs 29 mins |
59 | GTX 650 Ti Boost GK106 [GTX 650 Ti Boost] |
Nvidia | GK106 | 82,857 | 47,780 | 1.73 | 14 hrs 50 mins |
60 | GeForce GT 1030 GP108 [GeForce GT 1030] 1127 |
Nvidia | GP108 | 39,275 | 47,780 | 0.82 | 29 hrs 12 mins |
61 | FirePro W2100 Oland GL [FirePro W2100] |
AMD | Oland GL | 24,800 | 47,780 | 0.52 | 46 hrs 14 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 |
---|