PROJECT #17334 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.

17329-331 replace 17316-8 (change from rectangular to truncated octahedron box)

17332-5 replace 17325-8 ((change from rectangular to truncated octahedron box)

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: 257,392

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Sunday, 28 February 2021 13:12:31

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 6,034,650 249,426 24.19 1 hrs 60 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 5,456,142 242,212 22.53 1 hrs 4 mins
3 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 4,362,534 226,376 19.27 1 hrs 15 mins
4 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,344,555 225,042 19.31 1 hrs 15 mins
5 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 4,096,555 221,636 18.48 1 hrs 18 mins
6 Quadro RTX 6000/8000
TU102GL [Quadro RTX 6000/8000]
Nvidia TU102GL 3,440,124 196,132 17.54 1 hrs 22 mins
7 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 2,834,481 195,370 14.51 2 hrs 39 mins
8 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 2,741,978 194,060 14.13 2 hrs 42 mins
9 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,723,413 193,135 14.10 2 hrs 42 mins
10 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,562,915 189,600 13.52 2 hrs 47 mins
11 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,408,927 185,509 12.99 2 hrs 51 mins
12 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,366,501 185,582 12.75 2 hrs 53 mins
13 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,299,986 183,679 12.52 2 hrs 55 mins
14 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,079,782 174,964 11.89 2 hrs 1 mins
15 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,078,717 175,871 11.82 2 hrs 2 mins
16 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 2,016,988 175,310 11.51 2 hrs 5 mins
17 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 1,987,413 174,338 11.40 2 hrs 6 mins
18 GeForce RTX 3070 Mobile / Max-Q
GA104M [GeForce RTX 3070 Mobile / Max-Q]
Nvidia GA104M 1,844,833 169,995 10.85 2 hrs 13 mins
19 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,718,146 164,450 10.45 2 hrs 18 mins
20 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,581,368 160,754 9.84 2 hrs 26 mins
21 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,579,421 161,345 9.79 2 hrs 27 mins
22 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,283,678 150,844 8.51 3 hrs 49 mins
23 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,258,616 149,180 8.44 3 hrs 51 mins
24 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,197,904 147,838 8.10 3 hrs 58 mins
25 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,181,386 146,567 8.06 3 hrs 59 mins
26 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,155,691 142,266 8.12 3 hrs 57 mins
27 GeForce RTX 2060 Mobile / Max-Q
TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550
Nvidia TU106M 1,057,486 140,348 7.53 3 hrs 11 mins
28 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,048,977 139,995 7.49 3 hrs 12 mins
29 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 973,545 135,680 7.18 3 hrs 21 mins
30 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 915,717 134,783 6.79 4 hrs 32 mins
31 P104-100
GP104 [P104-100]
Nvidia GP104 862,176 131,472 6.56 4 hrs 40 mins
32 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 726,692 123,897 5.87 4 hrs 6 mins
33 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 644,225 120,519 5.35 4 hrs 29 mins
34 P106-100
GP106 [P106-100]
Nvidia GP106 563,335 114,698 4.91 5 hrs 53 mins
35 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 548,799 112,700 4.87 5 hrs 56 mins
36 GeForce GTX 1650
TU117 [GeForce GTX 1650] 3091
Nvidia TU117 529,999 111,557 4.75 5 hrs 3 mins
37 GeForce GTX 1650 Ti Mobile
TU117M [GeForce GTX 1650 Ti Mobile]
Nvidia TU117M 525,389 111,280 4.72 5 hrs 5 mins
38 Radeon RX 5500/5500M / Pro 5500M
Navi 14 [Radeon RX 5500/5500M / Pro 5500M]
AMD Navi 14 454,275 104,717 4.34 6 hrs 32 mins
39 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 439,210 106,244 4.13 6 hrs 48 mins
40 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 419,326 103,653 4.05 6 hrs 56 mins
41 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 405,789 95,790 4.24 6 hrs 40 mins
42 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 316,015 62,332 5.07 5 hrs 44 mins
43 P106-090
GP106 [P106-090]
Nvidia GP106 290,336 91,966 3.16 8 hrs 36 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Sunday, 28 February 2021 13:12:31

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

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