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 Wednesday, 27 January 2021 18:08:39

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 6,220,233 235,386 26.43 1 hrs 54 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 5,225,887 222,813 23.45 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 4,315,498 210,810 20.47 1 hrs 10 mins
5 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 4,037,638 206,088 19.59 1 hrs 14 mins
6 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 3,953,434 204,754 19.31 1 hrs 15 mins
7 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,232,084 191,482 16.88 1 hrs 25 mins
8 Quadro RTX 6000/8000
TU102GL [Quadro RTX 6000/8000]
Nvidia TU102GL 3,106,206 190,543 16.30 1 hrs 28 mins
9 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 2,957,182 185,849 15.91 2 hrs 30 mins
10 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,853,298 183,031 15.59 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 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,636,174 178,698 14.75 2 hrs 38 mins
14 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 2,512,782 179,818 13.97 2 hrs 43 mins
15 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,483,882 175,487 14.15 2 hrs 42 mins
16 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,295,656 170,932 13.43 2 hrs 47 mins
17 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,286,924 171,037 13.37 2 hrs 48 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 2,176,617 167,446 13.00 2 hrs 51 mins
20 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 1,855,836 157,207 11.81 2 hrs 2 mins
21 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,612,119 152,127 10.60 2 hrs 16 mins
22 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,577,056 150,404 10.49 2 hrs 17 mins
23 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,476,492 141,473 10.44 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 1,371,341 144,160 9.51 3 hrs 31 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 1,297,678 141,518 9.17 3 hrs 37 mins
28 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,173,481 135,436 8.66 3 hrs 46 mins
29 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,126,535 133,746 8.42 3 hrs 51 mins
30 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,106,172 134,022 8.25 3 hrs 54 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 1,062,798 128,729 8.26 3 hrs 54 mins
32 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,046,468 131,020 7.99 3 hrs 0 mins
33 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,007,713 122,208 8.25 3 hrs 55 mins
34 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 669,730 97,839 6.85 4 hrs 30 mins
35 GeForce GTX 1070
GP104 [GeForce GTX 1070]
Nvidia GP104 663,339 113,608 5.84 4 hrs 7 mins
36 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 652,002 110,251 5.91 4 hrs 3 mins
37 P104-100
GP104 [P104-100]
Nvidia GP104 638,537 112,037 5.70 4 hrs 13 mins
38 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 632,826 110,506 5.73 4 hrs 11 mins
39 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 631,777 111,159 5.68 4 hrs 13 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 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 619,015 109,084 5.67 4 hrs 14 mins
42 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 541,450 104,905 5.16 5 hrs 39 mins
43 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 509,148 93,264 5.46 4 hrs 24 mins
44 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 454,344 100,172 4.54 5 hrs 17 mins
45 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 436,817 98,346 4.44 5 hrs 24 mins
46 P106-100
GP106 [P106-100]
Nvidia GP106 432,939 98,277 4.41 5 hrs 27 mins
47 Radeon R9 200/300X Series
Hawaii [Radeon R9 200/300X Series]
AMD Hawaii 425,741 97,667 4.36 6 hrs 30 mins
48 Radeon R9 280/HD 7900/8950
Tahiti PRO [Radeon R9 280/HD 7900/8950]
AMD Tahiti PRO 325,969 89,577 3.64 7 hrs 36 mins
49 P106-090
GP106 [P106-090]
Nvidia GP106 273,350 84,278 3.24 7 hrs 24 mins
50 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 268,561 83,641 3.21 7 hrs 28 mins
51 Radeon R9 200/300 Series
Tonga [Radeon R9 200/300 Series]
AMD Tonga 232,686 79,080 2.94 8 hrs 9 mins
52 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 195,115 75,613 2.58 9 hrs 18 mins
53 Radeon HD 7800
Pitcairn [Radeon HD 7800]
AMD Pitcairn 175,869 72,405 2.43 10 hrs 53 mins
54 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 137,800 50,618 2.72 9 hrs 49 mins
55 Radeon R7/R6 360 Series
Bonaire [Radeon R7/R6 360 Series]
AMD Bonaire 84,460 57,224 1.48 16 hrs 16 mins
56 Ryzen vega 8 mobile
Raven [Ryzen vega 8 mobile]
AMD Raven 53,399 48,949 1.09 22 hrs 60 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Wednesday, 27 January 2021 18:08:40

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

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