PROJECT #17323 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: 200,481

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Monday, 25 January 2021 15:12:51

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 6,312,293 344,638 18.32 1 hrs 19 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 5,195,854 322,050 16.13 1 hrs 29 mins
3 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 4,415,264 307,645 14.35 2 hrs 40 mins
4 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,286,257 304,012 14.10 2 hrs 42 mins
5 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 3,969,284 297,378 13.35 2 hrs 48 mins
6 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,197,486 275,930 11.59 2 hrs 4 mins
7 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 2,909,473 263,459 11.04 2 hrs 10 mins
8 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,828,378 265,062 10.67 2 hrs 15 mins
9 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,792,673 264,526 10.56 2 hrs 16 mins
10 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,497,106 251,519 9.93 2 hrs 25 mins
11 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,374,338 250,817 9.47 3 hrs 32 mins
12 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,283,409 238,538 9.57 3 hrs 30 mins
13 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 1,989,620 235,427 8.45 3 hrs 50 mins
14 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,977,770 236,451 8.36 3 hrs 52 mins
15 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 1,815,186 220,659 8.23 3 hrs 55 mins
16 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,666,583 222,956 7.47 3 hrs 13 mins
17 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,641,619 221,956 7.40 3 hrs 15 mins
18 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,588,511 218,904 7.26 3 hrs 18 mins
19 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,444,782 212,600 6.80 4 hrs 32 mins
20 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,318,816 206,276 6.39 4 hrs 45 mins
21 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,284,243 204,555 6.28 4 hrs 49 mins
22 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,194,564 194,911 6.13 4 hrs 55 mins
23 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,131,593 195,794 5.78 4 hrs 9 mins
24 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,122,378 195,696 5.74 4 hrs 11 mins
25 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,121,612 195,426 5.74 4 hrs 11 mins
26 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 1,085,429 192,306 5.64 4 hrs 15 mins
27 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 816,833 175,846 4.65 5 hrs 10 mins
28 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 707,028 167,339 4.23 6 hrs 41 mins
29 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 698,227 167,471 4.17 6 hrs 45 mins
30 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 694,659 166,100 4.18 6 hrs 44 mins
31 GeForce GTX 1070
GP104 [GeForce GTX 1070]
Nvidia GP104 671,580 164,084 4.09 6 hrs 52 mins
32 Radeon RX 5500/5500M / Pro 5500M
Navi 14 [Radeon RX 5500/5500M / Pro 5500M]
AMD Navi 14 532,825 152,940 3.48 7 hrs 53 mins
33 P106-100
GP106 [P106-100]
Nvidia GP106 511,618 150,464 3.40 7 hrs 3 mins
34 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 480,058 132,850 3.61 7 hrs 39 mins
35 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 444,315 142,418 3.12 8 hrs 42 mins
36 Radeon R9 280/HD 7900/8950
Tahiti PRO [Radeon R9 280/HD 7900/8950]
AMD Tahiti PRO 338,829 131,369 2.58 9 hrs 18 mins
37 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 258,301 118,448 2.18 11 hrs 0 mins
38 P106-090
GP106 [P106-090]
Nvidia GP106 227,762 115,199 1.98 12 hrs 8 mins
39 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 213,757 112,405 1.90 13 hrs 37 mins
40 Radeon HD 7800
Pitcairn [Radeon HD 7800]
AMD Pitcairn 177,724 106,116 1.67 14 hrs 20 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Monday, 25 January 2021 15:12:52

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

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