PROJECT #17327 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: 143,492

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Sunday, 28 February 2021 14:15:59

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 5,970,853 233,910 25.53 1 hrs 56 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 5,435,710 226,803 23.97 1 hrs 0 mins
3 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,319,461 211,081 20.46 1 hrs 10 mins
4 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 4,318,891 211,519 20.42 1 hrs 11 mins
5 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 3,634,078 199,706 18.20 1 hrs 19 mins
6 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,245,268 191,974 16.90 1 hrs 25 mins
7 Quadro RTX 6000/8000
TU102GL [Quadro RTX 6000/8000]
Nvidia TU102GL 2,961,018 182,103 16.26 1 hrs 29 mins
8 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 2,921,405 187,643 15.57 2 hrs 32 mins
9 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,713,753 180,506 15.03 2 hrs 36 mins
10 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,637,873 179,164 14.72 2 hrs 38 mins
11 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,517,775 174,675 14.41 2 hrs 40 mins
12 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,394,374 173,773 13.78 2 hrs 45 mins
13 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,391,676 173,846 13.76 2 hrs 45 mins
14 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 1,984,897 161,983 12.25 2 hrs 58 mins
15 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,868,243 159,996 11.68 2 hrs 3 mins
16 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,666,472 153,937 10.83 2 hrs 13 mins
17 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,629,818 152,863 10.66 2 hrs 15 mins
18 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,610,037 152,385 10.57 2 hrs 16 mins
19 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,475,389 147,796 9.98 2 hrs 24 mins
20 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 1,453,129 128,398 11.32 2 hrs 7 mins
21 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,345,045 143,361 9.38 3 hrs 33 mins
22 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,275,293 140,498 9.08 3 hrs 39 mins
23 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,199,576 138,205 8.68 3 hrs 46 mins
24 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,175,787 136,450 8.62 3 hrs 47 mins
25 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 1,144,496 134,014 8.54 3 hrs 49 mins
26 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,111,512 134,057 8.29 3 hrs 54 mins
27 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,106,343 133,433 8.29 3 hrs 54 mins
28 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,029,900 131,410 7.84 3 hrs 4 mins
29 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 721,416 116,618 6.19 4 hrs 53 mins
30 P104-100
GP104 [P104-100]
Nvidia GP104 625,800 111,306 5.62 4 hrs 16 mins
31 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 619,466 104,566 5.92 4 hrs 3 mins
32 Radeon RX 5500/5500M / Pro 5500M
Navi 14 [Radeon RX 5500/5500M / Pro 5500M]
AMD Navi 14 586,063 108,995 5.38 4 hrs 28 mins
33 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 562,131 107,473 5.23 5 hrs 35 mins
34 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 532,677 102,933 5.17 5 hrs 38 mins
35 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 454,345 100,041 4.54 5 hrs 17 mins
36 P106-100
GP106 [P106-100]
Nvidia GP106 439,402 98,882 4.44 5 hrs 24 mins
37 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 434,431 98,732 4.40 5 hrs 27 mins
38 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 432,336 98,218 4.40 5 hrs 27 mins
39 Radeon R9 200/300X Series
Hawaii [Radeon R9 200/300X Series]
AMD Hawaii 432,158 93,938 4.60 5 hrs 13 mins
40 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 371,234 64,654 5.74 4 hrs 11 mins
41 Radeon R9 280/HD 7900/8950
Tahiti PRO [Radeon R9 280/HD 7900/8950]
AMD Tahiti PRO 323,415 89,230 3.62 7 hrs 37 mins
42 P106-090
GP106 [P106-090]
Nvidia GP106 272,471 84,321 3.23 7 hrs 26 mins
43 Radeon R9 200/300 Series
Tonga [Radeon R9 200/300 Series]
AMD Tonga 262,639 83,079 3.16 8 hrs 36 mins
44 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 244,620 63,638 3.84 6 hrs 15 mins
45 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 179,388 64,259 2.79 9 hrs 36 mins
46 Radeon HD 7800
Pitcairn [Radeon HD 7800]
AMD Pitcairn 178,077 73,403 2.43 10 hrs 54 mins
47 Radeon R7/R6 360 Series
Bonaire [Radeon R7/R6 360 Series]
AMD Bonaire 83,318 56,317 1.48 16 hrs 13 mins
48 Ryzen vega 8 mobile
Raven [Ryzen vega 8 mobile]
AMD Raven 54,831 49,384 1.11 22 hrs 37 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Sunday, 28 February 2021 14:15:59

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

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