PROJECT #18112 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: 38,678

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 3090
GA102 [GeForce RTX 3090]
Nvidia GA102 4,390,265 224,350 19.57 1 hrs 14 mins
2 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 4,202,964 221,493 18.98 1 hrs 16 mins
3 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 3,469,446 208,256 16.66 1 hrs 26 mins
4 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 3,351,662 205,968 16.27 1 hrs 28 mins
5 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 3,250,454 202,162 16.08 1 hrs 30 mins
6 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 3,229,590 185,716 17.39 1 hrs 23 mins
7 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 2,983,594 198,889 15.00 2 hrs 36 mins
8 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 2,766,619 193,957 14.26 2 hrs 41 mins
9 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 2,762,798 193,803 14.26 2 hrs 41 mins
10 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,733,284 192,654 14.19 2 hrs 41 mins
11 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,715,610 192,821 14.08 2 hrs 42 mins
12 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,434,681 185,591 13.12 2 hrs 50 mins
13 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 2,388,934 183,972 12.99 2 hrs 51 mins
14 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,274,058 181,351 12.54 2 hrs 55 mins
15 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,203,919 179,786 12.26 2 hrs 57 mins
16 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,199,098 179,503 12.25 2 hrs 58 mins
17 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 2,085,306 173,828 12.00 2 hrs 0 mins
18 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 1,976,574 173,481 11.39 2 hrs 6 mins
19 GeForce RTX 3070 Lite Hash Rate
GA104 [GeForce RTX 3070 Lite Hash Rate]
Nvidia GA104 1,930,706 170,034 11.35 2 hrs 7 mins
20 GeForce RTX 3070 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 1,904,671 170,223 11.19 2 hrs 9 mins
21 Radeon RX 6900 XT
Navi 21 [Radeon RX 6900 XT]
AMD Navi 21 1,899,714 171,180 11.10 2 hrs 10 mins
22 GeForce RTX 3060 Lite Hash Rate
GA106 [GeForce RTX 3060 Lite Hash Rate]
Nvidia GA106 1,789,757 167,732 10.67 2 hrs 15 mins
23 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 1,788,410 167,603 10.67 2 hrs 15 mins
24 GeForce RTX 3060
GA106 [GeForce RTX 3060]
Nvidia GA106 1,682,267 164,308 10.24 2 hrs 21 mins
25 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,613,151 162,354 9.94 2 hrs 25 mins
26 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,434,642 155,883 9.20 3 hrs 36 mins
27 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,373,754 154,105 8.91 3 hrs 42 mins
28 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,307,524 150,790 8.67 3 hrs 46 mins
29 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,173,971 145,630 8.06 3 hrs 59 mins
30 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 1,112,229 142,937 7.78 3 hrs 5 mins
31 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,100,285 142,283 7.73 3 hrs 6 mins
32 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 1,081,240 140,780 7.68 3 hrs 7 mins
33 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,032,135 138,913 7.43 3 hrs 14 mins
34 Radeon RX 6700/6700 XT / 6800M
Navi 22 [Radeon RX 6700/6700 XT / 6800M]
AMD Navi 22 1,016,565 136,427 7.45 3 hrs 13 mins
35 GeForce RTX 3050 Ti Mobile
GA107M [GeForce RTX 3050 Ti Mobile]
Nvidia GA107M 958,186 135,759 7.06 3 hrs 24 mins
36 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 924,878 134,627 6.87 3 hrs 30 mins
37 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 886,618 133,129 6.66 4 hrs 36 mins
38 RTX A2000 Mobile
GA107GLM [RTX A2000 Mobile]
GA107GLM 837,751 130,853 6.40 4 hrs 45 mins
39 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 800,803 128,265 6.24 4 hrs 51 mins
40 GeForce GTX 980
GM204 [GeForce GTX 980] 4612
Nvidia GM204 747,949 120,605 6.20 4 hrs 52 mins
41 GeForce GTX 1070 Mobile
GP104BM [GeForce GTX 1070 Mobile] 6463
Nvidia GP104BM 725,506 124,279 5.84 4 hrs 7 mins
42 Quadro P2200
GP106GL [Quadro P2200]
Nvidia GP106GL 666,818 120,997 5.51 4 hrs 21 mins
43 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 645,758 119,534 5.40 4 hrs 27 mins
44 GeForce GTX 1650
TU117 [GeForce GTX 1650] 3091
Nvidia TU117 614,589 118,081 5.20 5 hrs 37 mins
45 GeForce GTX 1060 Mobile
GP106M [GeForce GTX 1060 Mobile]
Nvidia GP106M 591,294 115,997 5.10 5 hrs 42 mins
46 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 572,879 111,461 5.14 5 hrs 40 mins
47 GeForce GTX 1650
TU117 [GeForce GTX 1650]
Nvidia TU117 536,683 111,185 4.83 5 hrs 58 mins
48 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 437,846 104,674 4.18 6 hrs 44 mins
49 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 420,764 103,088 4.08 6 hrs 53 mins
50 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 417,059 103,543 4.03 6 hrs 58 mins
51 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 336,650 95,910 3.51 7 hrs 50 mins
52 P104-100
GP104 [P104-100]
Nvidia GP104 305,133 93,133 3.28 7 hrs 20 mins
53 P106-090
GP106 [P106-090]
Nvidia GP106 264,812 88,706 2.99 8 hrs 2 mins
54 GeForce GTX 680
GK104 [GeForce GTX 680] 3250
Nvidia GK104 262,995 88,707 2.96 8 hrs 6 mins
55 P106-100
GP106 [P106-100]
Nvidia GP106 244,138 86,494 2.82 9 hrs 30 mins
56 GeForce GTX 950
GM206 [GeForce GTX 950] 1572
Nvidia GM206 225,852 83,524 2.70 9 hrs 53 mins
57 Radeon HD 7800
Pitcairn [Radeon HD 7800]
AMD Pitcairn 175,521 74,808 2.35 10 hrs 14 mins
58 GeForce GTX 750 Ti
GM107 [GeForce GTX 750 Ti] 1389
Nvidia GM107 165,945 73,064 2.27 11 hrs 34 mins
59 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 146,874 72,694 2.02 12 hrs 53 mins
60 GTX 650 Ti Boost
GK106 [GTX 650 Ti Boost]
Nvidia GK106 128,022 69,407 1.84 13 hrs 1 mins
61 GeForce GTX 690
GK104 [GeForce GTX 690] 3130
Nvidia GK104 112,522 42,255 2.66 9 hrs 1 mins
62 GeForce GT 1030
GP108 [GeForce GT 1030] 1127
Nvidia GP108 98,273 48,498 2.03 12 hrs 51 mins
63 Radeon R7/R6 360 Series
Bonaire [Radeon R7/R6 360 Series]
AMD Bonaire 91,409 61,362 1.49 16 hrs 7 mins
64 Quadro K1200
GM107GL [Quadro K1200]
Nvidia GM107GL 90,336 61,974 1.46 16 hrs 28 mins
65 Radeon APU A4-6000 R2
Mullins [Radeon APU A4-6000 R2]
AMD Mullins 6,181 42,255 0.15 164 hrs 4 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