PROJECT #18115 RESEARCH FOR CANCER
FOLDING PERFORMANCE PROFILE

PROJECT SUMMARY

18110/5: 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.

 

18111/6: 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 3090
GA102 [GeForce RTX 3090]
Nvidia GA102 4,445,842 235,209 18.90 1 hrs 16 mins
2 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 4,416,649 234,282 18.85 1 hrs 16 mins
3 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 4,167,134 223,169 18.67 1 hrs 17 mins
4 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 3,647,695 221,200 16.49 1 hrs 27 mins
5 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 3,607,599 220,604 16.35 1 hrs 28 mins
6 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 3,323,899 211,526 15.71 2 hrs 32 mins
7 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,085,106 209,860 14.70 2 hrs 38 mins
8 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 3,065,310 209,567 14.63 2 hrs 38 mins
9 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 2,986,164 207,541 14.39 2 hrs 40 mins
10 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,715,063 195,815 13.87 2 hrs 44 mins
11 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 2,584,162 196,956 13.12 2 hrs 50 mins
12 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,412,501 192,633 12.52 2 hrs 55 mins
13 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,249,472 188,307 11.95 2 hrs 1 mins
14 GeForce RTX 3070 Lite Hash Rate
GA104 [GeForce RTX 3070 Lite Hash Rate]
Nvidia GA104 2,221,235 185,255 11.99 2 hrs 0 mins
15 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,132,808 185,077 11.52 2 hrs 5 mins
16 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,124,810 185,561 11.45 2 hrs 6 mins
17 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 1,936,656 178,839 10.83 2 hrs 13 mins
18 GeForce RTX 3060
GA106 [GeForce RTX 3060]
Nvidia GA106 1,846,844 176,768 10.45 2 hrs 18 mins
19 GeForce RTX 3070 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 1,825,548 175,899 10.38 2 hrs 19 mins
20 GeForce RTX 3060 Mobile / Max-Q
GA106M [GeForce RTX 3060 Mobile / Max-Q]
Nvidia GA106M 1,792,624 175,520 10.21 2 hrs 21 mins
21 GeForce RTX 3060 Lite Hash Rate
GA106 [GeForce RTX 3060 Lite Hash Rate]
Nvidia GA106 1,684,962 171,419 9.83 2 hrs 26 mins
22 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,638,616 169,866 9.65 2 hrs 29 mins
23 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,480,603 164,511 9.00 3 hrs 40 mins
24 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,262,619 156,366 8.07 3 hrs 58 mins
25 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,234,071 154,755 7.97 3 hrs 1 mins
26 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,070,206 146,942 7.28 3 hrs 18 mins
27 RTX A2000 Mobile
GA107GLM [RTX A2000 Mobile]
GA107GLM 910,477 140,300 6.49 4 hrs 42 mins
28 GeForce GTX 1070 Mobile
GP104BM [GeForce GTX 1070 Mobile] 6463
Nvidia GP104BM 753,833 128,690 5.86 4 hrs 6 mins
29 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 738,592 130,577 5.66 4 hrs 15 mins
30 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 638,524 124,211 5.14 5 hrs 40 mins
31 GeForce GTX 1060 Mobile
GP106M [GeForce GTX 1060 Mobile]
Nvidia GP106M 619,811 123,304 5.03 5 hrs 46 mins
32 GeForce GTX 1650 Ti Mobile
TU117M [GeForce GTX 1650 Ti Mobile]
Nvidia TU117M 573,352 114,352 5.01 5 hrs 47 mins
33 GeForce GTX 1650
TU117 [GeForce GTX 1650]
Nvidia TU117 528,403 116,810 4.52 5 hrs 18 mins
34 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 366,324 103,629 3.53 7 hrs 47 mins
35 P106-100
GP106 [P106-100]
Nvidia GP106 262,359 92,309 2.84 8 hrs 27 mins
36 GeForce GTX 950
GM206 [GeForce GTX 950] 1572
Nvidia GM206 244,022 89,032 2.74 9 hrs 45 mins
37 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 149,195 76,200 1.96 12 hrs 15 mins
38 GeForce GT 730
GK208B [GeForce GT 730] 692.7
Nvidia GK208B 37,477 45,000 0.83 29 hrs 49 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