PROJECT #17318 RESEARCH FOR COVID-19
FOLDING PERFORMANCE PROFILE

PROJECT SUMMARY

These projects involve the SARS-CoV-2 receptor binding domain (RBD) and its target receptor in humans, ACE2. We are simulating these proteins alone and in complex with each other (and with and without glycosylation). We will build Markov State Models using the Fah simulation data, which will help us identify the metastable states of each protein/protein complex. Given these experiments, we hope to be able to explain the impact of glycosylation on RBD conformational dynamics as well as identify whether there are shifts in metastable states upon RBD:ACE2 binding. Ultimately, the knowledge gained here will help infom drug design efforts.

Note: 17313-6 replace 17307-9, as 17307-9 used a different, less stable integrator.

PROJECT INFO

Manager(s): Ivy Zhang

Institution: Memorial Sloan Kettering Cancer Center

Project URL: http://www.choderalab.org/members/#ivy-zhang

PROJECT WORK UNIT SUMMARY

Atoms: 142,497

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Saturday, 17 April 2021 18:47:38

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 6,209,570 227,201 27.33 1 hrs 53 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 5,062,378 212,354 23.84 1 hrs 0 mins
3 TITAN RTX
TU102 [TITAN RTX] 16310
Nvidia TU102 4,630,415 207,795 22.28 1 hrs 5 mins
4 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,384,676 204,006 21.49 1 hrs 7 mins
5 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 3,945,999 203,365 19.40 1 hrs 14 mins
6 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 3,864,253 195,563 19.76 1 hrs 13 mins
7 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,193,462 182,921 17.46 1 hrs 22 mins
8 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 3,037,856 181,552 16.73 1 hrs 26 mins
9 Quadro RTX 6000/8000
TU102GL [Quadro RTX 6000/8000]
Nvidia TU102GL 2,920,586 179,939 16.23 1 hrs 29 mins
10 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,906,389 177,680 16.36 1 hrs 28 mins
11 GeForce RTX 2080 SUPER Mobile / Max-Q
TU104M [GeForce RTX 2080 SUPER Mobile / Max-Q]
Nvidia TU104M 2,860,346 176,722 16.19 1 hrs 29 mins
12 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,712,503 173,824 15.60 2 hrs 32 mins
13 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,556,103 169,738 15.06 2 hrs 36 mins
14 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,486,227 168,079 14.79 2 hrs 37 mins
15 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,410,683 163,290 14.76 2 hrs 38 mins
16 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,369,147 165,748 14.29 2 hrs 41 mins
17 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,176,142 158,094 13.76 2 hrs 45 mins
18 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,995,441 156,790 12.73 2 hrs 53 mins
19 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 1,993,399 156,217 12.76 2 hrs 53 mins
20 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 1,944,488 148,991 13.05 2 hrs 50 mins
21 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,680,379 148,640 11.31 2 hrs 7 mins
22 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,629,264 146,480 11.12 2 hrs 9 mins
23 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,607,068 142,875 11.25 2 hrs 8 mins
24 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,408,337 139,875 10.07 2 hrs 23 mins
25 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,371,724 138,779 9.88 2 hrs 26 mins
26 GeForce GTX Titan X
GM200 [GeForce GTX Titan X] 6144
Nvidia GM200 1,347,307 137,894 9.77 2 hrs 27 mins
27 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,266,346 132,471 9.56 3 hrs 31 mins
28 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,253,529 134,668 9.31 3 hrs 35 mins
29 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,126,929 127,327 8.85 3 hrs 43 mins
30 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,096,509 127,723 8.59 3 hrs 48 mins
31 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,089,992 128,104 8.51 3 hrs 49 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 1,059,662 126,052 8.41 3 hrs 51 mins
33 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,055,530 123,829 8.52 3 hrs 49 mins
34 Tesla M40
GM200GL [Tesla M40] 6844
Nvidia GM200GL 926,780 121,750 7.61 3 hrs 9 mins
35 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 884,535 120,111 7.36 3 hrs 16 mins
36 P104-100
GP104 [P104-100]
Nvidia GP104 705,671 111,402 6.33 4 hrs 47 mins
37 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 660,200 107,711 6.13 4 hrs 55 mins
38 GeForce GTX 1070
GP104 [GeForce GTX 1070]
Nvidia GP104 636,366 106,759 5.96 4 hrs 2 mins
39 GeForce GTX 1650 Ti Mobile
TU116M [GeForce GTX 1650 Ti Mobile]
Nvidia TU116M 626,078 106,804 5.86 4 hrs 6 mins
40 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 611,781 105,889 5.78 4 hrs 9 mins
41 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 561,738 102,667 5.47 4 hrs 23 mins
42 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 561,226 103,121 5.44 4 hrs 25 mins
43 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 513,163 95,416 5.38 4 hrs 28 mins
44 P106-100
GP106 [P106-100]
Nvidia GP106 475,158 97,670 4.86 5 hrs 56 mins
45 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 460,325 96,460 4.77 5 hrs 2 mins
46 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 448,596 95,799 4.68 5 hrs 8 mins
47 Radeon RX 5500/5500M / Pro 5500M
Navi 14 [Radeon RX 5500/5500M / Pro 5500M]
AMD Navi 14 442,239 91,127 4.85 5 hrs 57 mins
48 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 435,943 94,626 4.61 5 hrs 13 mins
49 Radeon R9 200/300X Series
Hawaii [Radeon R9 200/300X Series]
AMD Hawaii 425,067 93,691 4.54 5 hrs 17 mins
50 Radeon R9 280/HD 7900/8950
Tahiti PRO [Radeon R9 280/HD 7900/8950]
AMD Tahiti PRO 301,333 83,778 3.60 7 hrs 40 mins
51 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 286,792 82,196 3.49 7 hrs 53 mins
52 P106-090
GP106 [P106-090]
Nvidia GP106 281,803 81,960 3.44 7 hrs 59 mins
53 Radeon R9 200/300 Series
Tonga [Radeon R9 200/300 Series]
AMD Tonga 241,394 77,779 3.10 8 hrs 44 mins
54 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 212,624 74,529 2.85 8 hrs 25 mins
55 Radeon HD 7800
Pitcairn [Radeon HD 7800]
AMD Pitcairn 168,165 69,126 2.43 10 hrs 52 mins
56 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 157,188 58,316 2.70 9 hrs 54 mins
57 Radeon R7/R6 360 Series
Bonaire [Radeon R7/R6 360 Series]
AMD Bonaire 70,766 47,120 1.50 16 hrs 59 mins
58 Radeon RX Vega gfx902
raven [Radeon RX Vega gfx902]
AMD raven 55,859 43,762 1.28 19 hrs 48 mins
59 Ryzen vega 8 mobile
Raven [Ryzen vega 8 mobile]
AMD Raven 51,909 46,574 1.11 22 hrs 32 mins
60 Radeon APU A4-6000 R2
Mullins [Radeon APU A4-6000 R2]
AMD Mullins 4,922 29,673 0.17 145 hrs 41 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Saturday, 17 April 2021 18:47:38

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