PROJECT #17317 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: 143,492

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Monday, 19 April 2021 05:56:26

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 6,178,396 234,886 26.30 1 hrs 55 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 5,257,567 223,471 23.53 1 hrs 1 mins
3 TITAN RTX
TU102 [TITAN RTX] 16310
Nvidia TU102 4,537,681 214,750 21.13 1 hrs 8 mins
4 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,237,903 209,632 20.22 1 hrs 11 mins
5 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 4,115,678 207,749 19.81 1 hrs 13 mins
6 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 3,885,578 203,653 19.08 1 hrs 15 mins
7 Quadro RTX 6000/8000
TU102GL [Quadro RTX 6000/8000]
Nvidia TU102GL 3,212,979 192,258 16.71 1 hrs 26 mins
8 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,160,842 190,101 16.63 1 hrs 27 mins
9 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 2,929,552 186,528 15.71 2 hrs 32 mins
10 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,872,787 183,519 15.65 2 hrs 32 mins
11 GeForce RTX 2080 SUPER Mobile / Max-Q
TU104M [GeForce RTX 2080 SUPER Mobile / Max-Q]
Nvidia TU104M 2,764,979 181,240 15.26 2 hrs 34 mins
12 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,655,728 178,859 14.85 2 hrs 37 mins
13 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 2,537,101 179,229 14.16 2 hrs 42 mins
14 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,510,714 175,781 14.28 2 hrs 41 mins
15 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,479,486 173,939 14.25 2 hrs 41 mins
16 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,304,492 171,228 13.46 2 hrs 47 mins
17 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,294,763 166,416 13.79 2 hrs 44 mins
18 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,268,580 169,343 13.40 2 hrs 47 mins
19 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 2,004,864 161,104 12.44 2 hrs 56 mins
20 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 1,945,475 160,561 12.12 2 hrs 59 mins
21 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,604,298 151,942 10.56 2 hrs 16 mins
22 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,576,014 150,477 10.47 2 hrs 17 mins
23 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,492,599 142,870 10.45 2 hrs 18 mins
24 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,372,008 143,886 9.54 3 hrs 31 mins
25 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,353,929 142,854 9.48 3 hrs 32 mins
26 GeForce GTX Titan X
GM200 [GeForce GTX Titan X] 6144
Nvidia GM200 1,300,813 141,598 9.19 3 hrs 37 mins
27 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,292,431 141,318 9.15 3 hrs 37 mins
28 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,211,108 137,583 8.80 3 hrs 44 mins
29 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,139,364 134,593 8.47 3 hrs 50 mins
30 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,096,294 133,539 8.21 3 hrs 55 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 1,093,110 130,867 8.35 3 hrs 52 mins
32 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,054,187 131,471 8.02 3 hrs 60 mins
33 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,036,196 126,689 8.18 3 hrs 56 mins
34 Tesla M40
GM200GL [Tesla M40] 6844
Nvidia GM200GL 1,013,243 130,302 7.78 3 hrs 5 mins
35 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 670,795 98,249 6.83 4 hrs 31 mins
36 GeForce GTX 1070
GP104 [GeForce GTX 1070]
Nvidia GP104 663,339 113,608 5.84 4 hrs 7 mins
37 P104-100
GP104 [P104-100]
Nvidia GP104 641,086 112,142 5.72 4 hrs 12 mins
38 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 636,165 110,445 5.76 4 hrs 10 mins
39 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 632,826 110,506 5.73 4 hrs 11 mins
40 GeForce GTX 1650 Ti Mobile
TU116M [GeForce GTX 1650 Ti Mobile]
Nvidia TU116M 630,709 111,382 5.66 4 hrs 14 mins
41 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 627,659 110,907 5.66 4 hrs 14 mins
42 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 587,705 107,439 5.47 4 hrs 23 mins
43 Radeon RX 5500/5500M / Pro 5500M
Navi 14 [Radeon RX 5500/5500M / Pro 5500M]
AMD Navi 14 543,292 105,891 5.13 5 hrs 41 mins
44 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 541,937 102,718 5.28 5 hrs 33 mins
45 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 508,636 94,388 5.39 4 hrs 27 mins
46 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 458,831 100,328 4.57 5 hrs 15 mins
47 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 452,793 99,641 4.54 5 hrs 17 mins
48 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 448,892 99,713 4.50 5 hrs 20 mins
49 Radeon R9 200/300X Series
Hawaii [Radeon R9 200/300X Series]
AMD Hawaii 435,546 94,518 4.61 5 hrs 12 mins
50 P106-100
GP106 [P106-100]
Nvidia GP106 434,328 98,397 4.41 5 hrs 26 mins
51 Radeon R9 280/HD 7900/8950
Tahiti PRO [Radeon R9 280/HD 7900/8950]
AMD Tahiti PRO 324,096 89,349 3.63 7 hrs 37 mins
52 P106-090
GP106 [P106-090]
Nvidia GP106 273,229 84,271 3.24 7 hrs 24 mins
53 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 268,561 83,641 3.21 7 hrs 28 mins
54 Radeon R9 200/300 Series
Tonga [Radeon R9 200/300 Series]
AMD Tonga 232,686 79,080 2.94 8 hrs 9 mins
55 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 195,115 75,613 2.58 9 hrs 18 mins
56 Radeon HD 7800
Pitcairn [Radeon HD 7800]
AMD Pitcairn 176,583 72,717 2.43 10 hrs 53 mins
57 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 154,372 56,477 2.73 9 hrs 47 mins
58 Radeon R7/R6 360 Series
Bonaire [Radeon R7/R6 360 Series]
AMD Bonaire 76,675 55,524 1.38 17 hrs 23 mins
59 Ryzen vega 8 mobile
Raven [Ryzen vega 8 mobile]
AMD Raven 53,271 48,736 1.09 22 hrs 57 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Monday, 19 April 2021 05:56:26

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