PROJECT #17321 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: 308,569

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 6,803,816 561,516 12.12 2 hrs 59 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 5,455,362 516,902 10.55 2 hrs 16 mins
3 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 4,755,779 500,543 9.50 3 hrs 32 mins
4 TITAN RTX
TU102 [TITAN RTX] 16310
Nvidia TU102 4,673,310 499,155 9.36 3 hrs 34 mins
5 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,352,829 485,765 8.96 3 hrs 41 mins
6 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 4,116,860 476,664 8.64 3 hrs 47 mins
7 Quadro RTX 6000/8000
TU102GL [Quadro RTX 6000/8000]
Nvidia TU102GL 3,832,443 465,274 8.24 3 hrs 55 mins
8 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,376,025 443,318 7.62 3 hrs 9 mins
9 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 2,892,941 424,720 6.81 4 hrs 31 mins
10 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,876,242 414,425 6.94 3 hrs 27 mins
11 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,791,409 419,672 6.65 4 hrs 36 mins
12 GeForce RTX 2080 SUPER Mobile / Max-Q
TU104M [GeForce RTX 2080 SUPER Mobile / Max-Q]
Nvidia TU104M 2,700,490 414,239 6.52 4 hrs 41 mins
13 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 2,597,608 408,125 6.36 4 hrs 46 mins
14 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,515,853 401,381 6.27 4 hrs 50 mins
15 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,405,028 380,192 6.33 4 hrs 48 mins
16 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,365,451 397,372 5.95 4 hrs 2 mins
17 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 2,327,420 394,066 5.91 4 hrs 4 mins
18 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,311,699 389,774 5.93 4 hrs 3 mins
19 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,119,477 375,822 5.64 4 hrs 15 mins
20 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,114,315 377,193 5.61 4 hrs 17 mins
21 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,893,332 369,064 5.13 5 hrs 41 mins
22 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,703,718 355,805 4.79 5 hrs 1 mins
23 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,582,983 345,704 4.58 5 hrs 14 mins
24 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,568,790 346,383 4.53 5 hrs 18 mins
25 GeForce GTX Titan X
GM200 [GeForce GTX Titan X] 6144
Nvidia GM200 1,352,087 329,742 4.10 6 hrs 51 mins
26 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,317,922 326,071 4.04 6 hrs 56 mins
27 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,308,733 326,674 4.01 6 hrs 59 mins
28 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,183,952 315,441 3.75 6 hrs 24 mins
29 GeForce RTX 2060 Mobile / Max-Q
TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550
Nvidia TU106M 1,175,580 311,583 3.77 6 hrs 22 mins
30 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,161,019 307,105 3.78 6 hrs 21 mins
31 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,138,205 311,212 3.66 7 hrs 34 mins
32 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 1,108,368 304,190 3.64 7 hrs 35 mins
33 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,049,347 291,034 3.61 7 hrs 39 mins
34 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 931,777 291,073 3.20 7 hrs 30 mins
35 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 895,619 284,545 3.15 8 hrs 37 mins
36 P104-100
GP104 [P104-100]
Nvidia GP104 892,184 285,661 3.12 8 hrs 41 mins
37 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 761,407 272,299 2.80 9 hrs 35 mins
38 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 721,031 268,961 2.68 9 hrs 57 mins
39 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 697,170 263,857 2.64 9 hrs 5 mins
40 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 666,431 260,710 2.56 9 hrs 23 mins
41 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 665,979 260,498 2.56 9 hrs 23 mins
42 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 645,978 256,564 2.52 10 hrs 32 mins
43 GeForce GTX 1650 Ti Mobile
TU116M [GeForce GTX 1650 Ti Mobile]
Nvidia TU116M 643,045 257,673 2.50 10 hrs 37 mins
44 GeForce GTX 1070
GP104 [GeForce GTX 1070]
Nvidia GP104 620,516 254,179 2.44 10 hrs 50 mins
45 P106-100
GP106 [P106-100]
Nvidia GP106 570,838 247,508 2.31 10 hrs 24 mins
46 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 448,808 228,750 1.96 12 hrs 14 mins
47 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 442,634 227,574 1.95 12 hrs 20 mins
48 Radeon R9 280/HD 7900/8950
Tahiti PRO [Radeon R9 280/HD 7900/8950]
AMD Tahiti PRO 364,876 213,371 1.71 14 hrs 2 mins
49 Radeon RX 5500/5500M / Pro 5500M
Navi 14 [Radeon RX 5500/5500M / Pro 5500M]
AMD Navi 14 341,542 208,701 1.64 15 hrs 40 mins
50 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 309,132 201,831 1.53 16 hrs 40 mins
51 P106-090
GP106 [P106-090]
Nvidia GP106 293,598 197,974 1.48 16 hrs 11 mins
52 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 219,922 180,278 1.22 20 hrs 40 mins
53 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 175,603 137,385 1.28 19 hrs 47 mins
54 Radeon HD 7800
Pitcairn [Radeon HD 7800]
AMD Pitcairn 175,198 167,232 1.05 23 hrs 55 mins
55 Radeon RX Vega gfx902
raven [Radeon RX Vega gfx902]
AMD raven 74,792 125,831 0.59 40 hrs 23 mins
56 Ryzen vega 8 mobile
Raven [Ryzen vega 8 mobile]
AMD Raven 53,864 109,111 0.49 49 hrs 37 mins
57 Radeon R7 250/HD 7700
R575A [Radeon R7 250/HD 7700]
AMD R575A 46,219 109,111 0.42 57 hrs 39 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