PROJECT #17320 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: 330,617

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Thursday, 15 April 2021 07:42:41

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 6,906,551 607,496 11.37 2 hrs 7 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 5,593,632 566,770 9.87 2 hrs 26 mins
3 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 4,834,171 534,896 9.04 3 hrs 39 mins
4 TITAN RTX
TU102 [TITAN RTX] 16310
Nvidia TU102 4,725,588 541,585 8.73 3 hrs 45 mins
5 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,472,676 530,642 8.43 3 hrs 51 mins
6 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 4,052,765 512,229 7.91 3 hrs 2 mins
7 Quadro RTX 6000/8000
TU102GL [Quadro RTX 6000/8000]
Nvidia TU102GL 3,726,577 502,572 7.42 3 hrs 14 mins
8 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,327,015 476,569 6.98 3 hrs 26 mins
9 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,994,339 462,191 6.48 4 hrs 42 mins
10 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,821,384 454,953 6.20 4 hrs 52 mins
11 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 2,798,045 453,359 6.17 4 hrs 53 mins
12 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 2,727,168 440,528 6.19 4 hrs 53 mins
13 GeForce RTX 2080 SUPER Mobile / Max-Q
TU104M [GeForce RTX 2080 SUPER Mobile / Max-Q]
Nvidia TU104M 2,699,283 447,076 6.04 4 hrs 59 mins
14 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,461,973 430,121 5.72 4 hrs 12 mins
15 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,444,061 434,492 5.63 4 hrs 16 mins
16 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,286,968 382,833 5.97 4 hrs 1 mins
17 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,272,601 419,559 5.42 4 hrs 26 mins
18 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,198,552 412,913 5.32 5 hrs 30 mins
19 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 2,172,172 413,167 5.26 5 hrs 34 mins
20 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,108,602 412,147 5.12 5 hrs 41 mins
21 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,854,643 394,364 4.70 5 hrs 6 mins
22 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,648,732 377,042 4.37 5 hrs 29 mins
23 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,595,965 376,434 4.24 6 hrs 40 mins
24 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,557,443 371,851 4.19 6 hrs 44 mins
25 GeForce GTX Titan X
GM200 [GeForce GTX Titan X] 6144
Nvidia GM200 1,384,384 359,188 3.85 6 hrs 14 mins
26 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,256,246 347,829 3.61 7 hrs 39 mins
27 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,226,602 334,895 3.66 7 hrs 33 mins
28 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,206,449 340,500 3.54 7 hrs 46 mins
29 GeForce RTX 2060 Mobile / Max-Q
TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550
Nvidia TU106M 1,190,969 340,474 3.50 7 hrs 52 mins
30 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 1,177,411 337,932 3.48 7 hrs 53 mins
31 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,166,288 337,800 3.45 7 hrs 57 mins
32 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,148,162 334,181 3.44 7 hrs 59 mins
33 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,128,492 333,299 3.39 7 hrs 5 mins
34 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,117,251 334,864 3.34 7 hrs 12 mins
35 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 1,011,201 323,593 3.12 8 hrs 41 mins
36 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 985,461 318,477 3.09 8 hrs 45 mins
37 P104-100
GP104 [P104-100]
Nvidia GP104 933,838 315,249 2.96 8 hrs 6 mins
38 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 722,436 289,102 2.50 10 hrs 36 mins
39 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 701,994 282,344 2.49 10 hrs 39 mins
40 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 666,276 278,736 2.39 10 hrs 2 mins
41 GeForce GTX 1650 Ti Mobile
TU116M [GeForce GTX 1650 Ti Mobile]
Nvidia TU116M 649,245 279,460 2.32 10 hrs 20 mins
42 GeForce GTX 1070
GP104 [GeForce GTX 1070]
Nvidia GP104 624,403 275,597 2.27 11 hrs 36 mins
43 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 602,933 268,040 2.25 11 hrs 40 mins
44 P106-100
GP106 [P106-100]
Nvidia GP106 574,883 268,201 2.14 11 hrs 12 mins
45 Radeon R9 200/300X Series
Hawaii [Radeon R9 200/300X Series]
AMD Hawaii 509,889 257,708 1.98 12 hrs 8 mins
46 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 469,630 201,995 2.32 10 hrs 19 mins
47 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 466,555 250,195 1.86 13 hrs 52 mins
48 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 458,085 249,211 1.84 13 hrs 3 mins
49 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 381,153 229,233 1.66 14 hrs 26 mins
50 Radeon R9 280/HD 7900/8950
Tahiti PRO [Radeon R9 280/HD 7900/8950]
AMD Tahiti PRO 377,275 233,078 1.62 15 hrs 50 mins
51 P106-090
GP106 [P106-090]
Nvidia GP106 290,022 213,866 1.36 18 hrs 42 mins
52 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 286,115 212,599 1.35 18 hrs 50 mins
53 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 224,521 187,152 1.20 20 hrs 0 mins
54 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 214,244 192,221 1.11 22 hrs 32 mins
55 Radeon HD 7800
Pitcairn [Radeon HD 7800]
AMD Pitcairn 177,750 181,608 0.98 25 hrs 31 mins
56 Radeon HD 7790
Bonaire XT [Radeon HD 7790]
AMD Bonaire XT 141,586 168,553 0.84 29 hrs 34 mins
57 Radeon RX Vega gfx902
raven [Radeon RX Vega gfx902]
AMD raven 72,367 134,404 0.54 45 hrs 34 mins
58 Radeon R7/R6 360 Series
Bonaire [Radeon R7/R6 360 Series]
AMD Bonaire 70,913 122,604 0.58 41 hrs 30 mins
59 Ryzen vega 8 mobile
Raven [Ryzen vega 8 mobile]
AMD Raven 55,774 122,604 0.45 53 hrs 45 mins
60 Ryzen 4900HS mobile
Renoir [Ryzen 4900HS mobile]
AMD Renoir 42,030 122,604 0.34 70 hrs 1 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Thursday, 15 April 2021 07:42:41

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