PROJECT #17309 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: these projects are replacing 17304-6, as 17304-6 had to be stopped due to work server issues. 

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: 200,474

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Friday, 03 December 2021 04:36:09

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 5,843,378 257,840 22.66 1 hrs 4 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 4,630,357 237,945 19.46 1 hrs 14 mins
3 TITAN RTX
TU102 [TITAN RTX] 16310
Nvidia TU102 4,191,547 231,577 18.10 1 hrs 20 mins
4 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,116,212 230,351 17.87 1 hrs 21 mins
5 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 3,555,393 219,487 16.20 1 hrs 29 mins
6 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 3,407,324 215,015 15.85 2 hrs 31 mins
7 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 2,962,150 204,735 14.47 2 hrs 40 mins
8 Quadro RTX 6000/8000
TU102GL [Quadro RTX 6000/8000]
Nvidia TU102GL 2,825,050 207,749 13.60 2 hrs 46 mins
9 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 2,748,720 201,980 13.61 2 hrs 46 mins
10 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,639,018 198,926 13.27 2 hrs 49 mins
11 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,559,277 193,981 13.19 2 hrs 49 mins
12 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,524,025 195,999 12.88 2 hrs 52 mins
13 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,485,843 195,627 12.71 2 hrs 53 mins
14 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,324,764 189,006 12.30 2 hrs 57 mins
15 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER]
Nvidia TU104 2,290,391 190,367 12.03 2 hrs 60 mins
16 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,027,259 181,808 11.15 2 hrs 9 mins
17 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 1,967,969 179,626 10.96 2 hrs 11 mins
18 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 1,836,907 175,162 10.49 2 hrs 17 mins
19 GeForce RTX 2080 SUPER Mobile / Max-Q
TU104M [GeForce RTX 2080 SUPER Mobile / Max-Q]
Nvidia TU104M 1,792,566 175,501 10.21 2 hrs 21 mins
20 GeForce RTX 2070 Mobile
TU106BM [GeForce RTX 2070 Mobile] 6636
Nvidia TU106BM 1,767,446 174,889 10.11 2 hrs 22 mins
21 GeForce RTX 2060 KO
TU106-200A [GeForce RTX 2060]
Nvidia TU106-200A 1,677,667 171,709 9.77 2 hrs 27 mins
22 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,578,537 163,958 9.63 2 hrs 30 mins
23 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,564,605 166,826 9.38 3 hrs 34 mins
24 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,560,219 166,280 9.38 3 hrs 33 mins
25 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 1,546,769 164,568 9.40 3 hrs 33 mins
26 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,474,838 163,420 9.02 3 hrs 40 mins
27 GeForce GTX Titan X
GM200 [GeForce GTX Titan X] 6144
Nvidia GM200 1,223,663 154,428 7.92 3 hrs 2 mins
28 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,208,707 151,770 7.96 3 hrs 1 mins
29 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,133,879 149,855 7.57 3 hrs 10 mins
30 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,070,506 146,777 7.29 3 hrs 17 mins
31 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,032,221 144,364 7.15 3 hrs 21 mins
32 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,029,245 145,651 7.07 3 hrs 24 mins
33 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 954,206 141,011 6.77 4 hrs 33 mins
34 Radeon RX 5600/5600 XT - 5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT / 5700/5700 XT]
AMD Navi 10 951,636 140,822 6.76 4 hrs 33 mins
35 GeForce RTX 2060 Mobile / Max-Q
TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550
Nvidia TU106M 936,309 139,598 6.71 4 hrs 35 mins
36 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 893,282 138,631 6.44 4 hrs 43 mins
37 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 842,917 127,580 6.61 4 hrs 38 mins
38 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 685,187 122,402 5.60 4 hrs 17 mins
39 P104-100
GP104 [P104-100]
Nvidia GP104 639,114 124,449 5.14 5 hrs 40 mins
40 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 632,670 122,645 5.16 5 hrs 39 mins
41 GeForce GTX 1070
GP104 [GeForce GTX 1070]
Nvidia GP104 607,211 121,623 4.99 5 hrs 48 mins
42 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 586,369 119,790 4.89 5 hrs 54 mins
43 GeForce GTX 1650 Ti Mobile
TU116M [GeForce GTX 1650 Ti Mobile]
Nvidia TU116M 540,686 117,646 4.60 5 hrs 13 mins
44 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 528,008 115,384 4.58 5 hrs 15 mins
45 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 512,448 114,598 4.47 5 hrs 22 mins
46 P106-100
GP106 [P106-100]
Nvidia GP106 449,138 110,462 4.07 6 hrs 54 mins
47 Radeon RX 5500/5500M / Pro 5500M
Navi 14 [Radeon RX 5500/5500M / Pro 5500M]
AMD Navi 14 441,909 109,973 4.02 6 hrs 58 mins
48 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 438,988 107,675 4.08 6 hrs 53 mins
49 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 434,725 108,742 4.00 6 hrs 0 mins
50 Radeon R9 200/300X Series
Hawaii [Radeon R9 200/300X Series]
AMD Hawaii 413,920 107,263 3.86 6 hrs 13 mins
51 Quadro P2200
GP106GL [Quadro P2200]
Nvidia GP106GL 395,613 104,735 3.78 6 hrs 21 mins
52 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 390,848 105,756 3.70 6 hrs 30 mins
53 GeForce GTX 1050 Ti
GP107 [GeForce GTX 1050 Ti] 2138
Nvidia GP107 338,240 100,656 3.36 7 hrs 9 mins
54 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 320,912 96,811 3.31 7 hrs 14 mins
55 P106-090
GP106 [P106-090]
Nvidia GP106 270,232 93,374 2.89 8 hrs 18 mins
56 Quadro T1000 Mobile
TU117GLM [Quadro T1000 Mobile]
Nvidia TU117GLM 266,824 93,074 2.87 8 hrs 22 mins
57 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 263,674 92,774 2.84 8 hrs 27 mins
58 Radeon R9 280/HD 7900/8950
Tahiti PRO [Radeon R9 280/HD 7900/8950]
AMD Tahiti PRO 207,567 82,005 2.53 9 hrs 29 mins
59 Radeon RX 460
Baffin XT [Radeon RX 460]
AMD Baffin XT 163,542 79,250 2.06 12 hrs 38 mins
60 Radeon R9 200 Series
Hawaii [Radeon R9 200 Series]
AMD Hawaii 151,422 76,600 1.98 12 hrs 8 mins
61 Radeon HD 7800
Pitcairn [Radeon HD 7800]
AMD Pitcairn 136,679 74,371 1.84 13 hrs 4 mins
62 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 104,968 55,862 1.88 13 hrs 46 mins
63 Radeon HD 7790
Bonaire XT [Radeon HD 7790]
AMD Bonaire XT 102,861 65,826 1.56 15 hrs 22 mins
64 Polaris11
Baffin [Polaris11]
AMD Baffin 93,529 64,594 1.45 17 hrs 35 mins
65 Radeon R7 250X/HD 7700/8760
R575A [Radeon R7 250X/HD 7700/8760]
AMD R575A 65,971 58,226 1.13 21 hrs 11 mins
66 Ryzen vega 8 mobile
Raven [Ryzen vega 8 mobile]
AMD Raven 46,353 51,452 0.90 27 hrs 38 mins
67 Radeon RX Vega gfx902
raven [Radeon RX Vega gfx902]
AMD raven 27,339 43,489 0.63 38 hrs 11 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Friday, 03 December 2021 04:36:09

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