PROJECT #17324 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: 157,574

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Thursday, 15 April 2021 06:03:56

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 6,324,693 248,708 25.43 1 hrs 57 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 5,287,709 234,941 22.51 1 hrs 4 mins
3 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,402,399 221,369 19.89 1 hrs 12 mins
4 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 3,810,068 208,353 18.29 1 hrs 19 mins
5 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 3,709,863 209,483 17.71 1 hrs 21 mins
6 Quadro RTX 6000/8000
TU102GL [Quadro RTX 6000/8000]
Nvidia TU102GL 3,489,626 205,882 16.95 1 hrs 25 mins
7 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,223,569 199,322 16.17 1 hrs 29 mins
8 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 2,922,587 192,368 15.19 2 hrs 35 mins
9 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,811,705 190,298 14.78 2 hrs 37 mins
10 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,537,962 184,696 13.74 2 hrs 45 mins
11 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,527,660 183,951 13.74 2 hrs 45 mins
12 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,493,514 182,278 13.68 2 hrs 45 mins
13 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,347,901 178,930 13.12 2 hrs 50 mins
14 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 2,318,768 178,906 12.96 2 hrs 51 mins
15 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,235,734 174,335 12.82 2 hrs 52 mins
16 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,034,039 170,640 11.92 2 hrs 1 mins
17 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,714,343 162,041 10.58 2 hrs 16 mins
18 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,660,246 159,836 10.39 2 hrs 19 mins
19 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,594,385 158,083 10.09 2 hrs 23 mins
20 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,560,189 150,367 10.38 2 hrs 19 mins
21 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,386,563 150,344 9.22 3 hrs 36 mins
22 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,263,754 146,585 8.62 3 hrs 47 mins
23 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,222,015 145,177 8.42 3 hrs 51 mins
24 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,211,970 144,595 8.38 3 hrs 52 mins
25 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,183,646 142,143 8.33 3 hrs 53 mins
26 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,084,169 138,227 7.84 3 hrs 4 mins
27 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,059,007 134,009 7.90 3 hrs 2 mins
28 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,045,955 137,491 7.61 3 hrs 9 mins
29 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 934,768 131,553 7.11 3 hrs 23 mins
30 P104-100
GP104 [P104-100]
Nvidia GP104 743,042 122,900 6.05 4 hrs 58 mins
31 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 638,099 116,529 5.48 4 hrs 23 mins
32 GeForce GTX 1070
GP104 [GeForce GTX 1070]
Nvidia GP104 599,781 113,835 5.27 5 hrs 33 mins
33 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 596,496 103,178 5.78 4 hrs 9 mins
34 GeForce GTX 1650 Ti Mobile
TU116M [GeForce GTX 1650 Ti Mobile]
Nvidia TU116M 571,397 112,337 5.09 5 hrs 43 mins
35 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 548,326 110,124 4.98 5 hrs 49 mins
36 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 541,969 109,929 4.93 5 hrs 52 mins
37 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 530,749 109,731 4.84 5 hrs 58 mins
38 GeForce GTX 1650
TU117 [GeForce GTX 1650] 3091
Nvidia TU117 509,883 108,655 4.69 5 hrs 7 mins
39 P106-100
GP106 [P106-100]
Nvidia GP106 493,169 107,066 4.61 5 hrs 13 mins
40 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 460,163 104,681 4.40 5 hrs 28 mins
41 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 455,619 104,577 4.36 6 hrs 31 mins
42 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 440,307 103,670 4.25 6 hrs 39 mins
43 Radeon RX 5500/5500M / Pro 5500M
Navi 14 [Radeon RX 5500/5500M / Pro 5500M]
AMD Navi 14 394,060 85,325 4.62 5 hrs 12 mins
44 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 356,499 69,902 5.10 5 hrs 42 mins
45 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 296,564 90,274 3.29 7 hrs 18 mins
46 Radeon R9 280/HD 7900/8950
Tahiti PRO [Radeon R9 280/HD 7900/8950]
AMD Tahiti PRO 295,759 90,536 3.27 7 hrs 21 mins
47 P106-090
GP106 [P106-090]
Nvidia GP106 275,779 88,236 3.13 8 hrs 41 mins
48 Radeon R9 200/300 Series
Tonga [Radeon R9 200/300 Series]
AMD Tonga 220,492 82,181 2.68 9 hrs 57 mins
49 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 167,656 68,345 2.45 10 hrs 47 mins
50 Radeon HD 7800
Pitcairn [Radeon HD 7800]
AMD Pitcairn 160,551 73,893 2.17 11 hrs 3 mins
51 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 125,971 67,694 1.86 13 hrs 54 mins
52 Radeon R7/R6 360 Series
Bonaire [Radeon R7/R6 360 Series]
AMD Bonaire 62,131 46,350 1.34 18 hrs 54 mins
53 Radeon R7 250/HD 7700
R575A [Radeon R7 250/HD 7700]
AMD R575A 38,041 42,023 0.91 27 hrs 31 mins
54 Radeon RX Vega gfx902
raven [Radeon RX Vega gfx902]
AMD raven 24,224 39,533 0.61 39 hrs 10 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Thursday, 15 April 2021 06:03:56

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