PROJECT #17315 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: 202,867

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Thursday, 28 January 2021 03:32:20

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 6,699,996 343,404 19.51 1 hrs 14 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 5,160,171 312,218 16.53 1 hrs 27 mins
3 TITAN RTX
TU102 [TITAN RTX] 16310
Nvidia TU102 5,074,777 314,725 16.12 1 hrs 29 mins
4 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,527,288 302,215 14.98 2 hrs 36 mins
5 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 4,191,260 294,364 14.24 2 hrs 41 mins
6 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 4,023,783 288,793 13.93 2 hrs 43 mins
7 Quadro RTX 6000/8000
TU102GL [Quadro RTX 6000/8000]
Nvidia TU102GL 3,856,516 285,504 13.51 2 hrs 47 mins
8 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,381,551 274,829 12.30 2 hrs 57 mins
9 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 3,008,595 260,569 11.55 2 hrs 5 mins
10 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,958,298 262,585 11.27 2 hrs 8 mins
11 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,871,332 258,857 11.09 2 hrs 10 mins
12 GeForce RTX 2080 SUPER Mobile / Max-Q
TU104M [GeForce RTX 2080 SUPER Mobile / Max-Q]
Nvidia TU104M 2,830,031 258,687 10.94 2 hrs 12 mins
13 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,737,848 256,240 10.68 2 hrs 15 mins
14 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER]
Nvidia TU104 2,714,075 256,003 10.60 2 hrs 16 mins
15 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,547,244 248,737 10.24 2 hrs 21 mins
16 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,453,344 246,481 9.95 2 hrs 25 mins
17 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,331,090 240,620 9.69 2 hrs 29 mins
18 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,303,736 238,915 9.64 2 hrs 29 mins
19 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 2,179,905 236,963 9.20 3 hrs 37 mins
20 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 2,100,340 230,321 9.12 3 hrs 38 mins
21 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,072,208 231,705 8.94 3 hrs 41 mins
22 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,810,022 223,342 8.10 3 hrs 58 mins
23 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,660,841 216,559 7.67 3 hrs 8 mins
24 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,625,794 213,592 7.61 3 hrs 9 mins
25 GeForce GTX Titan X
GM200 [GeForce GTX Titan X] 6144
Nvidia GM200 1,342,392 194,868 6.89 3 hrs 29 mins
26 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,339,657 198,845 6.74 4 hrs 34 mins
27 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,305,292 200,539 6.51 4 hrs 41 mins
28 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,287,871 199,360 6.46 4 hrs 43 mins
29 GeForce RTX 2060 Mobile / Max-Q
TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550
Nvidia TU106M 1,242,720 194,660 6.38 4 hrs 46 mins
30 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,199,053 192,025 6.24 4 hrs 51 mins
31 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,149,267 191,969 5.99 4 hrs 1 mins
32 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,134,092 190,891 5.94 4 hrs 2 mins
33 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,128,527 188,976 5.97 4 hrs 1 mins
34 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 970,345 180,176 5.39 4 hrs 27 mins
35 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 942,973 173,229 5.44 4 hrs 25 mins
36 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 934,667 178,650 5.23 5 hrs 35 mins
37 P104-100
GP104 [P104-100]
Nvidia GP104 867,550 174,800 4.96 5 hrs 50 mins
38 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 665,319 160,169 4.15 6 hrs 47 mins
39 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 655,598 153,678 4.27 6 hrs 38 mins
40 GeForce GTX 1650 Ti Mobile
TU116M [GeForce GTX 1650 Ti Mobile]
Nvidia TU116M 648,569 158,621 4.09 6 hrs 52 mins
41 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 574,109 152,509 3.76 6 hrs 23 mins
42 P106-100
GP106 [P106-100]
Nvidia GP106 560,516 151,246 3.71 6 hrs 29 mins
43 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 554,611 147,853 3.75 6 hrs 24 mins
44 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 507,893 144,215 3.52 7 hrs 49 mins
45 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 487,949 142,602 3.42 7 hrs 1 mins
46 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 484,603 144,406 3.36 7 hrs 9 mins
47 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 474,016 143,202 3.31 7 hrs 15 mins
48 Radeon R9 200/300X Series
Hawaii [Radeon R9 200/300X Series]
AMD Hawaii 426,291 137,673 3.10 8 hrs 45 mins
49 Radeon R9 280/HD 7900/8950
Tahiti PRO [Radeon R9 280/HD 7900/8950]
AMD Tahiti PRO 323,113 125,942 2.57 9 hrs 21 mins
50 P106-090
GP106 [P106-090]
Nvidia GP106 295,605 122,191 2.42 10 hrs 55 mins
51 Radeon RX 5500/5500M / Pro 5500M
Navi 14 [Radeon RX 5500/5500M / Pro 5500M]
AMD Navi 14 293,652 122,134 2.40 10 hrs 59 mins
52 Radeon R9 200/300 Series
Tonga [Radeon R9 200/300 Series]
AMD Tonga 255,821 116,442 2.20 11 hrs 55 mins
53 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 212,767 109,260 1.95 12 hrs 19 mins
54 Radeon HD 7800
Pitcairn [Radeon HD 7800]
AMD Pitcairn 166,382 101,023 1.65 15 hrs 34 mins
55 Radeon R7/R6 360 Series
Bonaire [Radeon R7/R6 360 Series]
AMD Bonaire 79,418 79,602 1.00 24 hrs 3 mins
56 Ryzen vega 8 mobile
Raven [Ryzen vega 8 mobile]
AMD Raven 51,667 68,296 0.76 32 hrs 43 mins
57 Radeon R7 250/HD 7700
R575A [Radeon R7 250/HD 7700]
AMD R575A 42,667 63,706 0.67 36 hrs 50 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Thursday, 28 January 2021 03:32:20

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

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