PROJECT #17308 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: 158,384

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 6,544,556 206,338 31.72 1 hrs 45 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 4,808,498 186,780 25.74 1 hrs 56 mins
3 TITAN RTX
TU102 [TITAN RTX] 16310
Nvidia TU102 4,772,519 188,195 25.36 1 hrs 57 mins
4 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,683,709 186,456 25.12 1 hrs 57 mins
5 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 3,776,453 173,824 21.73 1 hrs 6 mins
6 Quadro RTX 6000/8000
TU102GL [Quadro RTX 6000/8000]
Nvidia TU102GL 3,448,598 169,583 20.34 1 hrs 11 mins
7 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,377,624 165,817 20.37 1 hrs 11 mins
8 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 3,030,425 161,875 18.72 1 hrs 17 mins
9 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,913,214 160,228 18.18 1 hrs 19 mins
10 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,780,461 157,837 17.62 1 hrs 22 mins
11 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER]
Nvidia TU104 2,604,085 154,400 16.87 1 hrs 25 mins
12 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 2,593,172 148,060 17.51 1 hrs 22 mins
13 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,393,815 146,694 16.32 1 hrs 28 mins
14 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,165,141 144,667 14.97 2 hrs 36 mins
15 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,094,564 142,736 14.67 2 hrs 38 mins
16 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,053,146 141,467 14.51 2 hrs 39 mins
17 GeForce RTX 2080 SUPER Mobile / Max-Q
TU104M [GeForce RTX 2080 SUPER Mobile / Max-Q]
Nvidia TU104M 1,980,316 140,895 14.06 2 hrs 42 mins
18 GeForce RTX 2060 KO
TU106-200A [GeForce RTX 2060]
Nvidia TU106-200A 1,873,830 138,475 13.53 2 hrs 46 mins
19 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,841,485 137,211 13.42 2 hrs 47 mins
20 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,693,732 133,918 12.65 2 hrs 54 mins
21 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,662,263 131,479 12.64 2 hrs 54 mins
22 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,591,970 130,587 12.19 2 hrs 58 mins
23 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 1,512,889 128,861 11.74 2 hrs 3 mins
24 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,472,020 126,058 11.68 2 hrs 3 mins
25 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,307,670 122,276 10.69 2 hrs 15 mins
26 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,189,615 117,869 10.09 2 hrs 23 mins
27 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,135,260 116,821 9.72 2 hrs 28 mins
28 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,125,021 116,260 9.68 2 hrs 29 mins
29 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,022,859 112,682 9.08 3 hrs 39 mins
30 Radeon RX 5600/5600 XT - 5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT / 5700/5700 XT]
AMD Navi 10 920,009 108,296 8.50 3 hrs 50 mins
31 GeForce RTX 2060 Mobile / Max-Q
TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550
Nvidia TU106M 886,159 107,310 8.26 3 hrs 54 mins
32 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 857,734 106,896 8.02 3 hrs 59 mins
33 P104-100
GP104 [P104-100]
Nvidia GP104 681,532 98,839 6.90 3 hrs 29 mins
34 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 672,165 98,102 6.85 4 hrs 30 mins
35 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 634,613 94,349 6.73 4 hrs 34 mins
36 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 577,286 93,584 6.17 4 hrs 53 mins
37 Quadro P2200
GP106GL [Quadro P2200]
Nvidia GP106GL 504,105 89,333 5.64 4 hrs 15 mins
38 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 479,822 87,720 5.47 4 hrs 23 mins
39 P106-100
GP106 [P106-100]
Nvidia GP106 471,532 87,487 5.39 4 hrs 27 mins
40 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 457,165 86,548 5.28 5 hrs 33 mins
41 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 442,217 85,416 5.18 5 hrs 38 mins
42 Radeon R9 200/300X Series
Hawaii [Radeon R9 200/300X Series]
AMD Hawaii 417,159 83,549 4.99 5 hrs 48 mins
43 GeForce GTX 1050 Ti
GP107 [GeForce GTX 1050 Ti] 2138
Nvidia GP107 382,378 81,512 4.69 5 hrs 7 mins
44 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 330,280 75,739 4.36 6 hrs 30 mins
45 P106-090
GP106 [P106-090]
Nvidia GP106 311,326 76,162 4.09 6 hrs 52 mins
46 Quadro T1000 Mobile
TU117GLM [Quadro T1000 Mobile]
Nvidia TU117GLM 282,318 73,840 3.82 6 hrs 17 mins
47 Radeon R9 280/HD 7900/8950
Tahiti PRO [Radeon R9 280/HD 7900/8950]
AMD Tahiti PRO 231,157 67,787 3.41 7 hrs 2 mins
48 Radeon RX 460
Baffin XT [Radeon RX 460]
AMD Baffin XT 162,083 61,531 2.63 9 hrs 7 mins
49 Radeon R9 200 Series
Hawaii [Radeon R9 200 Series]
AMD Hawaii 157,050 60,458 2.60 9 hrs 14 mins
50 Polaris11
Baffin [Polaris11]
AMD Baffin 139,365 58,313 2.39 10 hrs 3 mins
51 Radeon HD 7800
Pitcairn [Radeon HD 7800]
AMD Pitcairn 134,039 57,507 2.33 10 hrs 18 mins
52 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 126,286 54,177 2.33 10 hrs 18 mins
53 Radeon RX Vega gfx902
raven [Radeon RX Vega gfx902]
AMD raven 27,491 33,949 0.81 30 hrs 38 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