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 Monday, 18 January 2021 20:46:56

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 6,266,696 227,782 27.51 1 hrs 52 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 4,958,501 209,744 23.64 1 hrs 1 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 4,337,649 202,900 21.38 1 hrs 7 mins
5 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 3,973,553 208,799 19.03 1 hrs 16 mins
6 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 3,880,320 195,758 19.82 1 hrs 13 mins
7 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,292,529 185,659 17.73 1 hrs 21 mins
8 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 3,093,711 182,269 16.97 1 hrs 25 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 2,886,620 177,347 16.28 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 2,648,874 171,742 15.42 2 hrs 33 mins
14 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,473,246 167,528 14.76 2 hrs 38 mins
15 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,327,628 165,371 14.08 2 hrs 42 mins
16 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,321,511 164,175 14.14 2 hrs 42 mins
17 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,137,655 156,497 13.66 2 hrs 45 mins
18 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,999,070 156,846 12.75 2 hrs 53 mins
19 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 1,967,580 155,183 12.68 2 hrs 54 mins
20 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 1,823,161 143,905 12.67 2 hrs 54 mins
21 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,696,382 149,151 11.37 2 hrs 7 mins
22 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,624,597 146,245 11.11 2 hrs 10 mins
23 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,581,637 141,294 11.19 2 hrs 9 mins
24 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,383,534 139,142 9.94 2 hrs 25 mins
25 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,381,555 138,854 9.95 2 hrs 25 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 1,103,045 125,636 8.78 3 hrs 44 mins
30 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,086,983 126,899 8.57 3 hrs 48 mins
31 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 1,084,642 126,809 8.55 3 hrs 48 mins
32 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,080,205 127,589 8.47 3 hrs 50 mins
33 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,035,630 121,549 8.52 3 hrs 49 mins
34 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 884,535 120,111 7.36 3 hrs 16 mins
35 P104-100
GP104 [P104-100]
Nvidia GP104 706,278 111,398 6.34 4 hrs 47 mins
36 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 661,703 108,689 6.09 4 hrs 57 mins
37 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 645,444 107,877 5.98 4 hrs 1 mins
38 GeForce GTX 1650 Ti Mobile
TU116M [GeForce GTX 1650 Ti Mobile]
Nvidia TU116M 625,613 106,698 5.86 4 hrs 6 mins
39 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 591,687 104,732 5.65 4 hrs 15 mins
40 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 551,896 101,854 5.42 4 hrs 26 mins
41 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 546,024 101,761 5.37 4 hrs 28 mins
42 P106-100
GP106 [P106-100]
Nvidia GP106 476,434 97,721 4.88 5 hrs 55 mins
43 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 456,777 96,422 4.74 5 hrs 4 mins
44 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
45 Radeon R9 200/300X Series
Hawaii [Radeon R9 200/300X Series]
AMD Hawaii 395,155 91,303 4.33 6 hrs 33 mins
46 Radeon R9 280/HD 7900/8950
Tahiti PRO [Radeon R9 280/HD 7900/8950]
AMD Tahiti PRO 306,420 84,241 3.64 7 hrs 36 mins
47 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 286,792 82,196 3.49 7 hrs 53 mins
48 P106-090
GP106 [P106-090]
Nvidia GP106 281,942 81,967 3.44 7 hrs 59 mins
49 Radeon R9 200/300 Series
Tonga [Radeon R9 200/300 Series]
AMD Tonga 243,976 77,959 3.13 8 hrs 40 mins
50 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 213,652 74,652 2.86 8 hrs 23 mins
51 Radeon HD 7800
Pitcairn [Radeon HD 7800]
AMD Pitcairn 168,249 69,192 2.43 10 hrs 52 mins
52 Radeon R7/R6 360 Series
Bonaire [Radeon R7/R6 360 Series]
AMD Bonaire 71,383 48,348 1.48 16 hrs 15 mins
53 Radeon RX Vega gfx902
raven [Radeon RX Vega gfx902]
AMD raven 55,859 43,762 1.28 19 hrs 48 mins
54 Ryzen vega 8 mobile
Raven [Ryzen vega 8 mobile]
AMD Raven 51,909 46,574 1.11 22 hrs 32 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Monday, 18 January 2021 20:46:56

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

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