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 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 4,867,528 253,474 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]
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 December 2021 04:36:08

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