PROJECT #17333 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.

17329-331 replace 17316-8 (change from rectangular to truncated octahedron box)

17332-5 replace 17325-8 ((change from rectangular to truncated octahedron box)

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: 257,382

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Saturday, 08 May 2021 01:41:40

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 6,056,730 250,477 24.18 1 hrs 60 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 5,339,026 241,269 22.13 1 hrs 5 mins
3 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 4,323,814 225,569 19.17 1 hrs 15 mins
4 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,274,628 224,171 19.07 1 hrs 16 mins
5 Quadro RTX 6000/8000
TU102GL [Quadro RTX 6000/8000]
Nvidia TU102GL 3,815,421 216,015 17.66 1 hrs 22 mins
6 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 2,856,668 195,881 14.58 2 hrs 39 mins
7 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,688,372 192,354 13.98 2 hrs 43 mins
8 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 2,680,515 192,119 13.95 2 hrs 43 mins
9 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,541,236 188,714 13.47 2 hrs 47 mins
10 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,426,179 184,150 13.18 2 hrs 49 mins
11 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,324,436 182,395 12.74 2 hrs 53 mins
12 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,067,952 175,980 11.75 2 hrs 3 mins
13 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,026,557 173,960 11.65 2 hrs 4 mins
14 GeForce RTX 3060
GA106 [GeForce RTX 3060]
Nvidia GA106 1,698,203 162,948 10.42 2 hrs 18 mins
15 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,584,488 161,019 9.84 2 hrs 26 mins
16 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,529,070 159,367 9.59 3 hrs 30 mins
17 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,349,591 150,120 8.99 3 hrs 40 mins
18 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,323,450 152,133 8.70 3 hrs 46 mins
19 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,251,697 148,670 8.42 3 hrs 51 mins
20 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,204,627 147,370 8.17 3 hrs 56 mins
21 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,160,804 145,600 7.97 3 hrs 1 mins
22 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,104,826 142,927 7.73 3 hrs 6 mins
23 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,039,840 130,654 7.96 3 hrs 1 mins
24 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 914,110 134,480 6.80 4 hrs 32 mins
25 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 896,206 131,603 6.81 4 hrs 31 mins
26 P104-100
GP104 [P104-100]
Nvidia GP104 894,355 133,594 6.69 4 hrs 35 mins
27 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 851,523 131,938 6.45 4 hrs 43 mins
28 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 741,376 124,926 5.93 4 hrs 3 mins
29 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 573,168 114,025 5.03 5 hrs 46 mins
30 P106-100
GP106 [P106-100]
Nvidia GP106 564,678 114,509 4.93 5 hrs 52 mins
31 Radeon RX 5500/5500M / Pro 5500M
Navi 14 [Radeon RX 5500/5500M / Pro 5500M]
AMD Navi 14 468,214 106,790 4.38 5 hrs 28 mins
32 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 443,934 105,534 4.21 6 hrs 42 mins
33 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 383,333 104,707 3.66 7 hrs 33 mins
34 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 363,158 87,031 4.17 6 hrs 45 mins
35 GeForce GTX 1650 Ti Mobile
TU117M [GeForce GTX 1650 Ti Mobile]
Nvidia TU117M 344,376 88,679 3.88 6 hrs 11 mins
36 P106-090
GP106 [P106-090]
Nvidia GP106 285,564 91,352 3.13 8 hrs 41 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Saturday, 08 May 2021 01:41:40

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