PROJECT #18114 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: 34,970

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 4,737,330 242,569 19.53 1 hrs 14 mins
2 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 4,474,865 238,304 18.78 1 hrs 17 mins
3 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 4,044,033 230,093 17.58 1 hrs 22 mins
4 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 3,881,812 226,875 17.11 1 hrs 24 mins
5 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 3,340,909 215,781 15.48 2 hrs 33 mins
6 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 3,308,527 213,458 15.50 2 hrs 33 mins
7 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 3,152,698 212,363 14.85 2 hrs 37 mins
8 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 3,094,195 210,995 14.66 2 hrs 38 mins
9 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 3,012,579 209,207 14.40 2 hrs 40 mins
10 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 2,879,927 206,194 13.97 2 hrs 43 mins
11 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,857,890 205,254 13.92 2 hrs 43 mins
12 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 2,667,153 200,168 13.32 2 hrs 48 mins
13 GeForce RTX 3070 Lite Hash Rate
GA104 [GeForce RTX 3070 Lite Hash Rate]
Nvidia GA104 2,644,172 200,144 13.21 2 hrs 49 mins
14 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,616,378 199,809 13.09 2 hrs 50 mins
15 RTX A4000
GA104GL [RTX A4000]
Nvidia GA104GL 2,452,347 194,890 12.58 2 hrs 54 mins
16 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,385,413 190,758 12.50 2 hrs 55 mins
17 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,222,160 188,651 11.78 2 hrs 2 mins
18 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,113,122 185,686 11.38 2 hrs 7 mins
19 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 2,010,822 182,209 11.04 2 hrs 10 mins
20 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,006,881 182,823 10.98 2 hrs 11 mins
21 Radeon RX 6900 XT
Navi 21 [Radeon RX 6900 XT]
AMD Navi 21 1,933,089 180,536 10.71 2 hrs 14 mins
22 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,826,187 181,409 10.07 2 hrs 23 mins
23 GeForce RTX 3070 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 1,783,321 175,952 10.14 2 hrs 22 mins
24 GeForce RTX 3060
GA106 [GeForce RTX 3060]
Nvidia GA106 1,774,865 175,472 10.11 2 hrs 22 mins
25 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 1,733,136 173,997 9.96 2 hrs 25 mins
26 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,716,106 173,184 9.91 2 hrs 25 mins
27 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,671,886 172,345 9.70 2 hrs 28 mins
28 GeForce RTX 3060 Lite Hash Rate
GA106 [GeForce RTX 3060 Lite Hash Rate]
Nvidia GA106 1,669,971 170,623 9.79 2 hrs 27 mins
29 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,494,408 165,662 9.02 3 hrs 40 mins
30 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,423,665 163,216 8.72 3 hrs 45 mins
31 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,323,722 158,662 8.34 3 hrs 53 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 1,199,095 153,584 7.81 3 hrs 4 mins
33 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,192,596 153,692 7.76 3 hrs 6 mins
34 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,192,053 153,856 7.75 3 hrs 6 mins
35 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 1,169,113 151,973 7.69 3 hrs 7 mins
36 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,064,055 148,801 7.15 3 hrs 21 mins
37 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 1,003,285 144,250 6.96 3 hrs 27 mins
38 Radeon RX 6700/6700 XT / 6800M
Navi 22 [Radeon RX 6700/6700 XT / 6800M]
AMD Navi 22 962,629 138,740 6.94 3 hrs 28 mins
39 GeForce RTX 3050 Ti Mobile
GA107M [GeForce RTX 3050 Ti Mobile]
Nvidia GA107M 927,250 141,163 6.57 4 hrs 39 mins
40 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 921,418 136,394 6.76 4 hrs 33 mins
41 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 912,502 140,504 6.49 4 hrs 42 mins
42 RTX A2000 Mobile
GA107GLM [RTX A2000 Mobile]
GA107GLM 881,633 138,647 6.36 4 hrs 46 mins
43 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 866,086 135,032 6.41 4 hrs 45 mins
44 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 698,500 128,663 5.43 4 hrs 25 mins
45 Quadro P2200
GP106GL [Quadro P2200]
Nvidia GP106GL 683,604 127,819 5.35 4 hrs 29 mins
46 GeForce GTX 1060 Mobile
GP106M [GeForce GTX 1060 Mobile]
Nvidia GP106M 593,863 119,191 4.98 5 hrs 49 mins
47 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 585,242 121,336 4.82 5 hrs 59 mins
48 GeForce GTX 1650 Ti Mobile
TU117M [GeForce GTX 1650 Ti Mobile]
Nvidia TU117M 541,657 118,423 4.57 5 hrs 15 mins
49 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 474,022 111,192 4.26 6 hrs 38 mins
50 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 454,781 110,812 4.10 6 hrs 51 mins
51 Radeon RX 5500/5500M / Pro 5500M
Navi 14 [Radeon RX 5500/5500M / Pro 5500M]
AMD Navi 14 429,020 108,505 3.95 6 hrs 4 mins
52 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 386,743 96,971 3.99 6 hrs 1 mins
53 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 354,781 102,613 3.46 7 hrs 56 mins
54 P104-100
GP104 [P104-100]
Nvidia GP104 313,156 98,337 3.18 8 hrs 32 mins
55 P106-090
GP106 [P106-090]
Nvidia GP106 291,531 96,070 3.03 8 hrs 55 mins
56 GeForce GTX 770
GK104 [GeForce GTX 770] 3213
Nvidia GK104 282,555 95,493 2.96 8 hrs 7 mins
57 P106-100
GP106 [P106-100]
Nvidia GP106 270,852 93,900 2.88 8 hrs 19 mins
58 GeForce GTX 680
GK104 [GeForce GTX 680] 3250
Nvidia GK104 254,869 92,043 2.77 9 hrs 40 mins
59 GeForce GTX 950
GM206 [GeForce GTX 950] 1572
Nvidia GM206 253,929 90,722 2.80 9 hrs 34 mins
60 GeForce GTX 1050 Ti Mobile
GP107M [GeForce GTX 1050 Ti Mobile]
Nvidia GP107M 248,642 91,248 2.72 9 hrs 48 mins
61 Radeon RX 6600/6600 XT/6600M
Navi 23 [Radeon RX 6600/6600 XT/6600M]
AMD Navi 23 180,034 57,350 3.14 8 hrs 39 mins
62 GeForce GTX 750 Ti
GM107 [GeForce GTX 750 Ti] 1389
Nvidia GM107 132,326 65,971 2.01 12 hrs 58 mins
63 GeForce 940MX
GM107 [GeForce 940MX]
Nvidia GM107 46,404 45,384 1.02 23 hrs 28 mins
64 GeForce GT 1030
GP108 [GeForce GT 1030] 1127
Nvidia GP108 37,660 45,384 0.83 29 hrs 55 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