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 Wednesday, 04 August 2021 19:04:08

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 6,309,942 345,009 18.29 1 hrs 19 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 5,297,530 325,707 16.26 1 hrs 29 mins
3 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 4,549,700 310,741 14.64 2 hrs 38 mins
4 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,403,265 307,403 14.32 2 hrs 41 mins
5 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 3,888,412 295,456 13.16 2 hrs 49 mins
6 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,204,098 276,497 11.59 2 hrs 4 mins
7 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 2,897,841 266,633 10.87 2 hrs 12 mins
8 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,794,877 262,668 10.64 2 hrs 15 mins
9 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 2,675,919 260,898 10.26 2 hrs 20 mins
10 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,591,062 256,087 10.12 2 hrs 22 mins
11 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,517,119 253,649 9.92 2 hrs 25 mins
12 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,368,519 250,224 9.47 3 hrs 32 mins
13 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,331,158 243,596 9.57 3 hrs 30 mins
14 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,118,028 235,861 8.98 3 hrs 40 mins
15 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,056,512 238,349 8.63 3 hrs 47 mins
16 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,977,770 236,451 8.36 3 hrs 52 mins
17 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,677,855 223,535 7.51 3 hrs 12 mins
18 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,666,583 222,956 7.47 3 hrs 13 mins
19 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,601,747 219,474 7.30 3 hrs 17 mins
20 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
21 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,315,311 205,627 6.40 4 hrs 45 mins
22 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,220,431 198,149 6.16 4 hrs 54 mins
23 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,213,897 200,975 6.04 4 hrs 58 mins
24 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,211,005 198,080 6.11 4 hrs 56 mins
25 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,115,588 195,035 5.72 4 hrs 12 mins
26 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,114,812 194,923 5.72 4 hrs 12 mins
27 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,101,188 193,826 5.68 4 hrs 13 mins
28 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 1,093,669 192,483 5.68 4 hrs 13 mins
29 Tesla M40
GM200GL [Tesla M40] 6844
Nvidia GM200GL 984,593 187,354 5.26 5 hrs 34 mins
30 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 946,480 185,245 5.11 5 hrs 42 mins
31 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 816,833 175,846 4.65 5 hrs 10 mins
32 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 698,227 167,471 4.17 6 hrs 45 mins
33 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 661,414 154,461 4.28 6 hrs 36 mins
34 GeForce GTX 1070
GP104 [GeForce GTX 1070]
Nvidia GP104 648,427 162,503 3.99 6 hrs 1 mins
35 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 632,116 161,014 3.93 6 hrs 7 mins
36 GeForce GTX 1650 Ti Mobile
TU116M [GeForce GTX 1650 Ti Mobile]
Nvidia TU116M 620,578 161,069 3.85 6 hrs 14 mins
37 Radeon RX 5500/5500M / Pro 5500M
Navi 14 [Radeon RX 5500/5500M / Pro 5500M]
AMD Navi 14 563,161 152,142 3.70 6 hrs 29 mins
38 Radeon R9 200/300X Series
Hawaii [Radeon R9 200/300X Series]
AMD Hawaii 532,140 152,599 3.49 7 hrs 53 mins
39 P106-100
GP106 [P106-100]
Nvidia GP106 512,413 150,549 3.40 7 hrs 3 mins
40 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 485,698 134,403 3.61 7 hrs 38 mins
41 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 466,599 146,350 3.19 8 hrs 32 mins
42 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 442,583 142,743 3.10 8 hrs 44 mins
43 Radeon R9 280/HD 7900/8950
Tahiti PRO [Radeon R9 280/HD 7900/8950]
AMD Tahiti PRO 333,764 130,621 2.56 9 hrs 24 mins
44 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 258,301 118,448 2.18 11 hrs 0 mins
45 P106-090
GP106 [P106-090]
Nvidia GP106 235,874 116,525 2.02 12 hrs 51 mins
46 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 213,757 112,405 1.90 13 hrs 37 mins
47 Radeon HD 7800
Pitcairn [Radeon HD 7800]
AMD Pitcairn 178,140 106,214 1.68 14 hrs 19 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Wednesday, 04 August 2021 19:04:08

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