PROJECT #17319 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: 284,612

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 7,002,217 491,137 14.26 2 hrs 41 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 5,745,916 462,363 12.43 2 hrs 56 mins
3 TITAN RTX
TU102 [TITAN RTX] 16310
Nvidia TU102 4,921,158 438,507 11.22 2 hrs 8 mins
4 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 4,514,416 424,342 10.64 2 hrs 15 mins
5 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,429,246 423,571 10.46 2 hrs 18 mins
6 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 4,063,171 411,669 9.87 2 hrs 26 mins
7 Quadro RTX 6000/8000
TU102GL [Quadro RTX 6000/8000]
Nvidia TU102GL 3,938,758 407,352 9.67 2 hrs 29 mins
8 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,429,354 388,045 8.84 3 hrs 43 mins
9 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 2,902,897 368,763 7.87 3 hrs 3 mins
10 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,841,743 362,538 7.84 3 hrs 4 mins
11 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,829,020 358,162 7.90 3 hrs 2 mins
12 GeForce RTX 2080 SUPER Mobile / Max-Q
TU104M [GeForce RTX 2080 SUPER Mobile / Max-Q]
Nvidia TU104M 2,737,124 358,818 7.63 3 hrs 9 mins
13 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,615,607 350,160 7.47 3 hrs 13 mins
14 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,599,711 351,626 7.39 3 hrs 15 mins
15 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,515,403 351,027 7.17 3 hrs 21 mins
16 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,408,033 345,329 6.97 3 hrs 27 mins
17 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 2,322,788 333,283 6.97 3 hrs 27 mins
18 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,245,571 336,477 6.67 4 hrs 36 mins
19 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,228,738 335,057 6.65 4 hrs 36 mins
20 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 2,089,663 321,470 6.50 4 hrs 42 mins
21 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,831,777 315,297 5.81 4 hrs 8 mins
22 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,705,016 308,511 5.53 4 hrs 21 mins
23 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,623,894 302,842 5.36 4 hrs 29 mins
24 GeForce GTX Titan X
GM200 [GeForce GTX Titan X] 6144
Nvidia GM200 1,429,068 291,182 4.91 5 hrs 53 mins
25 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,403,756 287,827 4.88 5 hrs 55 mins
26 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,335,965 281,908 4.74 5 hrs 4 mins
27 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,305,896 280,531 4.66 5 hrs 9 mins
28 GeForce RTX 2060 Mobile / Max-Q
TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550
Nvidia TU106M 1,287,176 281,070 4.58 5 hrs 14 mins
29 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,239,429 273,219 4.54 5 hrs 17 mins
30 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,205,910 274,005 4.40 5 hrs 27 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 1,151,306 265,138 4.34 6 hrs 32 mins
32 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,120,660 265,573 4.22 6 hrs 41 mins
33 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,106,880 262,770 4.21 6 hrs 42 mins
34 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,099,688 265,587 4.14 6 hrs 48 mins
35 Tesla M40
GM200GL [Tesla M40] 6844
Nvidia GM200GL 963,413 255,675 3.77 6 hrs 22 mins
36 P104-100
GP104 [P104-100]
Nvidia GP104 938,008 253,062 3.71 6 hrs 28 mins
37 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 836,822 242,388 3.45 7 hrs 57 mins
38 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 703,448 229,087 3.07 8 hrs 49 mins
39 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 696,709 221,099 3.15 8 hrs 37 mins
40 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 693,120 227,843 3.04 8 hrs 53 mins
41 GeForce GTX 1650 Ti Mobile
TU116M [GeForce GTX 1650 Ti Mobile]
Nvidia TU116M 639,584 222,489 2.87 8 hrs 21 mins
42 P106-100
GP106 [P106-100]
Nvidia GP106 604,474 218,370 2.77 9 hrs 40 mins
43 GeForce GTX 1070
GP104 [GeForce GTX 1070]
Nvidia GP104 583,536 215,005 2.71 9 hrs 51 mins
44 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 533,400 209,876 2.54 9 hrs 27 mins
45 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 531,613 197,021 2.70 9 hrs 54 mins
46 Radeon R9 200/300X Series
Hawaii [Radeon R9 200/300X Series]
AMD Hawaii 506,331 205,431 2.46 10 hrs 44 mins
47 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 468,523 201,183 2.33 10 hrs 18 mins
48 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 463,959 200,023 2.32 10 hrs 21 mins
49 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 441,608 190,528 2.32 10 hrs 21 mins
50 Radeon RX 5500/5500M / Pro 5500M
Navi 14 [Radeon RX 5500/5500M / Pro 5500M]
AMD Navi 14 406,289 186,501 2.18 11 hrs 1 mins
51 Radeon R9 280/HD 7900/8950
Tahiti PRO [Radeon R9 280/HD 7900/8950]
AMD Tahiti PRO 337,360 179,899 1.88 13 hrs 48 mins
52 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 306,118 174,543 1.75 14 hrs 41 mins
53 P106-090
GP106 [P106-090]
Nvidia GP106 292,618 171,581 1.71 14 hrs 4 mins
54 Radeon R9 200/300 Series
Tonga [Radeon R9 200/300 Series]
AMD Tonga 275,995 168,263 1.64 15 hrs 38 mins
55 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 189,818 138,512 1.37 18 hrs 31 mins
56 GeForce GTX 1660 Mobile
TU116M [GeForce GTX 1660 Mobile]
Nvidia TU116M 80,152 111,801 0.72 33 hrs 29 mins
57 Radeon R7/R6 360 Series
Bonaire [Radeon R7/R6 360 Series]
AMD Bonaire 75,448 104,517 0.72 33 hrs 15 mins
58 Radeon R7 250X/HD 7700/8760
R575A [Radeon R7 250X/HD 7700/8760]
AMD R575A 73,376 108,451 0.68 35 hrs 28 mins
59 Ryzen vega 8 mobile
Raven [Ryzen vega 8 mobile]
AMD Raven 52,595 96,801 0.54 44 hrs 10 mins
60 Radeon APU A4-6000 R2
Mullins [Radeon APU A4-6000 R2]
AMD Mullins 43,960 87,920 0.50 48 hrs 0 mins
61 Radeon R7 250/HD 7700
R575A [Radeon R7 250/HD 7700]
AMD R575A 43,907 88,270 0.50 48 hrs 15 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