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 December 2021 04:36:08

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 December 2021 04:36:08

Rank
Project
CPU Model Logical
Processors (LP)
PPD-PLP
AVG PPD per 1 LP
ALL LP-PPD
(Estimated)
Make