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 Friday, 03 December 2021 04:36:09

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 6,639,981 341,888 19.42 1 hrs 14 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 5,362,760 318,404 16.84 1 hrs 25 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 4,537,683 302,765 14.99 2 hrs 36 mins
5 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 4,146,441 293,576 14.12 2 hrs 42 mins
6 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 4,031,378 286,820 14.06 2 hrs 42 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 3,330,046 272,941 12.20 2 hrs 58 mins
9 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 2,997,927 262,111 11.44 2 hrs 6 mins
10 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,888,504 260,417 11.09 2 hrs 10 mins
11 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,870,846 258,140 11.12 2 hrs 9 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 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,572,704 250,698 10.26 2 hrs 20 mins
16 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,568,135 249,552 10.29 2 hrs 20 mins
17 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,337,294 241,329 9.69 2 hrs 29 mins
18 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,327,354 240,135 9.69 2 hrs 29 mins
19 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 2,253,387 239,369 9.41 3 hrs 33 mins
20 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,147,548 234,078 9.17 3 hrs 37 mins
21 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 2,100,340 230,321 9.12 3 hrs 38 mins
22 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,775,040 219,341 8.09 3 hrs 58 mins
23 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,654,094 216,203 7.65 3 hrs 8 mins
24 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,635,893 214,403 7.63 3 hrs 9 mins
25 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,356,736 200,584 6.76 4 hrs 33 mins
26 GeForce GTX Titan X
GM200 [GeForce GTX Titan X] 6144
Nvidia GM200 1,342,392 194,868 6.89 3 hrs 29 mins
27 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,300,459 200,040 6.50 4 hrs 42 mins
28 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,299,894 200,208 6.49 4 hrs 42 mins
29 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,201,953 191,653 6.27 4 hrs 50 mins
30 GeForce RTX 2060 Mobile / Max-Q
TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550
Nvidia TU106M 1,181,357 193,234 6.11 4 hrs 56 mins
31 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,141,594 190,273 6.00 4 hrs 0 mins
32 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,138,799 191,079 5.96 4 hrs 2 mins
33 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,130,594 190,766 5.93 4 hrs 3 mins
34 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 975,280 175,973 5.54 4 hrs 20 mins
35 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 970,345 180,176 5.39 4 hrs 27 mins
36 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 914,454 174,984 5.23 5 hrs 36 mins
37 P104-100
GP104 [P104-100]
Nvidia GP104 866,560 174,760 4.96 5 hrs 50 mins
38 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 688,709 157,513 4.37 5 hrs 29 mins
39 GeForce GTX 1650 Ti Mobile
TU116M [GeForce GTX 1650 Ti Mobile]
Nvidia TU116M 646,794 158,566 4.08 6 hrs 53 mins
40 GeForce GTX 1070
GP104 [GeForce GTX 1070]
Nvidia GP104 603,025 154,424 3.90 6 hrs 9 mins
41 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 590,457 136,477 4.33 6 hrs 33 mins
42 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 568,931 152,012 3.74 6 hrs 25 mins
43 P106-100
GP106 [P106-100]
Nvidia GP106 561,227 151,271 3.71 6 hrs 28 mins
44 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 558,754 148,842 3.75 6 hrs 24 mins
45 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 509,843 144,069 3.54 7 hrs 47 mins
46 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 489,527 145,014 3.38 7 hrs 7 mins
47 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 487,949 142,602 3.42 7 hrs 1 mins
48 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
49 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 470,093 142,617 3.30 7 hrs 17 mins
50 Radeon R9 200/300X Series
Hawaii [Radeon R9 200/300X Series]
AMD Hawaii 453,119 140,573 3.22 7 hrs 27 mins
51 Radeon RX 5500/5500M / Pro 5500M
Navi 14 [Radeon RX 5500/5500M / Pro 5500M]
AMD Navi 14 391,509 133,342 2.94 8 hrs 10 mins
52 Radeon R9 280/HD 7900/8950
Tahiti PRO [Radeon R9 280/HD 7900/8950]
AMD Tahiti PRO 320,351 125,586 2.55 9 hrs 25 mins
53 P106-090
GP106 [P106-090]
Nvidia GP106 295,561 122,264 2.42 10 hrs 56 mins
54 Radeon R9 200/300 Series
Tonga [Radeon R9 200/300 Series]
AMD Tonga 255,821 116,442 2.20 11 hrs 55 mins
55 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 212,767 109,260 1.95 12 hrs 19 mins
56 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 193,436 100,386 1.93 12 hrs 27 mins
57 Radeon HD 7800
Pitcairn [Radeon HD 7800]
AMD Pitcairn 166,407 101,026 1.65 15 hrs 34 mins
58 Radeon R7/R6 360 Series
Bonaire [Radeon R7/R6 360 Series]
AMD Bonaire 81,667 80,060 1.02 24 hrs 32 mins
59 Ryzen vega 8 mobile
Raven [Ryzen vega 8 mobile]
AMD Raven 52,012 68,490 0.76 32 hrs 36 mins
60 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 Friday, 03 December 2021 04:36:09

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