PROJECT #17316 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: 200,474

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Wednesday, 28 July 2021 12:33:31

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 6,345,226 339,337 18.70 1 hrs 17 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 5,078,293 315,532 16.09 1 hrs 29 mins
3 TITAN RTX
TU102 [TITAN RTX] 16310
Nvidia TU102 4,593,519 308,001 14.91 2 hrs 37 mins
4 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,344,529 301,642 14.40 2 hrs 40 mins
5 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 4,292,144 303,992 14.12 2 hrs 42 mins
6 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 3,865,512 289,910 13.33 2 hrs 48 mins
7 Quadro RTX 6000/8000
TU102GL [Quadro RTX 6000/8000]
Nvidia TU102GL 3,319,791 275,197 12.06 2 hrs 59 mins
8 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,125,047 270,495 11.55 2 hrs 5 mins
9 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 2,848,414 263,162 10.82 2 hrs 13 mins
10 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,792,587 259,745 10.75 2 hrs 14 mins
11 GeForce RTX 2080 SUPER Mobile / Max-Q
TU104M [GeForce RTX 2080 SUPER Mobile / Max-Q]
Nvidia TU104M 2,642,947 254,341 10.39 2 hrs 19 mins
12 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,584,492 252,631 10.23 2 hrs 21 mins
13 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 2,437,392 248,435 9.81 2 hrs 27 mins
14 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,418,917 246,388 9.82 2 hrs 27 mins
15 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,413,493 248,262 9.72 2 hrs 28 mins
16 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,330,434 227,245 10.26 2 hrs 20 mins
17 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,257,907 241,635 9.34 3 hrs 34 mins
18 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,227,137 240,240 9.27 3 hrs 35 mins
19 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER]
Nvidia TU104 2,148,526 238,635 9.00 3 hrs 40 mins
20 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 2,102,577 235,748 8.92 3 hrs 41 mins
21 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,012,123 231,829 8.68 3 hrs 46 mins
22 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,644,603 216,955 7.58 3 hrs 10 mins
23 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,589,189 215,576 7.37 3 hrs 15 mins
24 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,498,999 210,727 7.11 3 hrs 22 mins
25 GeForce GTX Titan X
GM200 [GeForce GTX Titan X] 6144
Nvidia GM200 1,358,216 205,064 6.62 4 hrs 37 mins
26 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,276,343 200,377 6.37 4 hrs 46 mins
27 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,265,831 196,700 6.44 4 hrs 44 mins
28 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,213,478 196,897 6.16 4 hrs 54 mins
29 GeForce RTX 2060 Mobile / Max-Q
TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550
Nvidia TU106M 1,137,168 193,539 5.88 4 hrs 5 mins
30 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,132,582 191,777 5.91 4 hrs 4 mins
31 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,070,176 189,074 5.66 4 hrs 14 mins
32 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,068,194 179,753 5.94 4 hrs 2 mins
33 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,053,487 186,130 5.66 4 hrs 14 mins
34 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,044,197 187,408 5.57 4 hrs 18 mins
35 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 1,039,742 186,146 5.59 4 hrs 18 mins
36 Tesla M40
GM200GL [Tesla M40] 6844
Nvidia GM200GL 932,288 171,466 5.44 4 hrs 25 mins
37 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 891,455 178,506 4.99 5 hrs 48 mins
38 P104-100
GP104 [P104-100]
Nvidia GP104 764,075 169,501 4.51 5 hrs 19 mins
39 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 689,995 161,906 4.26 6 hrs 38 mins
40 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 667,993 160,495 4.16 6 hrs 46 mins
41 GeForce GTX 1070
GP104 [GeForce GTX 1070]
Nvidia GP104 637,844 159,107 4.01 6 hrs 59 mins
42 GeForce GTX 1650 Ti Mobile
TU116M [GeForce GTX 1650 Ti Mobile]
Nvidia TU116M 617,975 157,701 3.92 6 hrs 7 mins
43 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 615,614 157,161 3.92 6 hrs 8 mins
44 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 578,609 146,958 3.94 6 hrs 6 mins
45 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 553,515 151,354 3.66 7 hrs 34 mins
46 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 516,109 145,878 3.54 7 hrs 47 mins
47 P106-100
GP106 [P106-100]
Nvidia GP106 504,816 147,696 3.42 7 hrs 1 mins
48 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 437,679 140,486 3.12 8 hrs 42 mins
49 Radeon R9 200/300X Series
Hawaii [Radeon R9 200/300X Series]
AMD Hawaii 436,338 140,338 3.11 8 hrs 43 mins
50 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 431,053 140,346 3.07 8 hrs 49 mins
51 Radeon RX 5500/5500M / Pro 5500M
Navi 14 [Radeon RX 5500/5500M / Pro 5500M]
AMD Navi 14 385,982 118,120 3.27 7 hrs 21 mins
52 Radeon R9 280/HD 7900/8950
Tahiti PRO [Radeon R9 280/HD 7900/8950]
AMD Tahiti PRO 326,763 127,757 2.56 9 hrs 23 mins
53 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 285,180 121,749 2.34 10 hrs 15 mins
54 P106-090
GP106 [P106-090]
Nvidia GP106 270,379 119,869 2.26 11 hrs 38 mins
55 Radeon R9 200/300 Series
Tonga [Radeon R9 200/300 Series]
AMD Tonga 246,064 114,792 2.14 11 hrs 12 mins
56 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 229,536 141,295 1.62 15 hrs 46 mins
57 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 204,072 109,066 1.87 13 hrs 50 mins
58 Radeon HD 7800
Pitcairn [Radeon HD 7800]
AMD Pitcairn 173,278 103,110 1.68 14 hrs 17 mins
59 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 163,997 85,339 1.92 12 hrs 29 mins
60 Radeon HD 7790
Bonaire XT [Radeon HD 7790]
AMD Bonaire XT 98,739 73,712 1.34 18 hrs 55 mins
61 Radeon R7/R6 360 Series
Bonaire [Radeon R7/R6 360 Series]
AMD Bonaire 73,319 76,713 0.96 25 hrs 7 mins
62 Radeon RX Vega gfx902
raven [Radeon RX Vega gfx902]
AMD raven 72,653 77,391 0.94 26 hrs 34 mins
63 Ryzen vega 8 mobile
Raven [Ryzen vega 8 mobile]
AMD Raven 51,561 68,996 0.75 32 hrs 7 mins
64 Ryzen 4900HS mobile
Renoir [Ryzen 4900HS mobile]
AMD Renoir 31,541 58,251 0.54 44 hrs 19 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Wednesday, 28 July 2021 12:33:31

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