PROJECT #17328 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, 25 July 2021 18:22:26

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 5,899,119 231,880 25.44 1 hrs 57 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 5,429,480 226,908 23.93 1 hrs 0 mins
3 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,279,906 210,258 20.36 1 hrs 11 mins
4 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 4,257,847 210,313 20.25 1 hrs 11 mins
5 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 3,649,579 199,832 18.26 1 hrs 19 mins
6 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,189,747 190,226 16.77 1 hrs 26 mins
7 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 2,966,806 188,312 15.75 2 hrs 31 mins
8 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,803,341 182,650 15.35 2 hrs 34 mins
9 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,567,356 177,806 14.44 2 hrs 40 mins
10 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,508,943 174,556 14.37 2 hrs 40 mins
11 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,480,026 175,374 14.14 2 hrs 42 mins
12 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,407,349 173,889 13.84 2 hrs 44 mins
13 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,382,678 173,462 13.74 2 hrs 45 mins
14 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 1,974,823 161,972 12.19 2 hrs 58 mins
15 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,756,666 157,110 11.18 2 hrs 9 mins
16 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,722,291 155,793 11.05 2 hrs 10 mins
17 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,613,562 152,297 10.59 2 hrs 16 mins
18 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,612,803 152,494 10.58 2 hrs 16 mins
19 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 1,488,695 148,180 10.05 2 hrs 23 mins
20 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,368,927 143,605 9.53 3 hrs 31 mins
21 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,331,308 142,752 9.33 3 hrs 34 mins
22 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,277,852 141,136 9.05 3 hrs 39 mins
23 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,185,467 136,267 8.70 3 hrs 46 mins
24 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,156,236 135,426 8.54 3 hrs 49 mins
25 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,109,898 134,328 8.26 3 hrs 54 mins
26 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,109,466 133,687 8.30 3 hrs 54 mins
27 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,090,801 132,746 8.22 3 hrs 55 mins
28 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 1,061,011 131,319 8.08 3 hrs 58 mins
29 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 857,404 123,819 6.92 3 hrs 28 mins
30 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 724,829 116,732 6.21 4 hrs 52 mins
31 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 668,113 113,214 5.90 4 hrs 4 mins
32 P104-100
GP104 [P104-100]
Nvidia GP104 645,312 112,374 5.74 4 hrs 11 mins
33 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 634,468 111,874 5.67 4 hrs 14 mins
34 GeForce GTX 1650 Ti Mobile
TU116M [GeForce GTX 1650 Ti Mobile]
Nvidia TU116M 626,573 111,460 5.62 4 hrs 16 mins
35 GeForce GTX 1070
GP104 [GeForce GTX 1070]
Nvidia GP104 619,521 110,390 5.61 4 hrs 17 mins
36 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 588,447 108,345 5.43 4 hrs 25 mins
37 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 549,407 100,508 5.47 4 hrs 23 mins
38 Radeon RX 5500/5500M / Pro 5500M
Navi 14 [Radeon RX 5500/5500M / Pro 5500M]
AMD Navi 14 504,660 98,860 5.10 5 hrs 42 mins
39 Radeon R9 200/300X Series
Hawaii [Radeon R9 200/300X Series]
AMD Hawaii 498,395 103,042 4.84 5 hrs 58 mins
40 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 462,955 100,732 4.60 5 hrs 13 mins
41 P106-100
GP106 [P106-100]
Nvidia GP106 440,515 99,011 4.45 5 hrs 24 mins
42 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 433,312 98,706 4.39 5 hrs 28 mins
43 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 431,418 98,223 4.39 5 hrs 28 mins
44 Radeon R9 280/HD 7900/8950
Tahiti PRO [Radeon R9 280/HD 7900/8950]
AMD Tahiti PRO 309,860 87,785 3.53 7 hrs 48 mins
45 P106-090
GP106 [P106-090]
Nvidia GP106 275,235 84,644 3.25 7 hrs 23 mins
46 Radeon R9 200/300 Series
Tonga [Radeon R9 200/300 Series]
AMD Tonga 262,755 83,115 3.16 8 hrs 36 mins
47 Radeon HD 7800
Pitcairn [Radeon HD 7800]
AMD Pitcairn 176,054 72,925 2.41 10 hrs 56 mins
48 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 176,032 64,129 2.74 9 hrs 45 mins
49 Radeon R7/R6 360 Series
Bonaire [Radeon R7/R6 360 Series]
AMD Bonaire 89,586 57,907 1.55 16 hrs 31 mins
50 Radeon R7 200 Series
Hawaii [Radeon R7 200 Series]
AMD Hawaii 56,335 38,054 1.48 16 hrs 13 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Sunday, 25 July 2021 18:22:26

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