PROJECT #17330 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: 257,386

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Sunday, 28 February 2021 12:55:56

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 6,033,111 250,967 24.04 1 hrs 60 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 5,518,484 243,894 22.63 1 hrs 4 mins
3 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 4,465,614 228,598 19.53 1 hrs 14 mins
4 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,287,037 223,512 19.18 1 hrs 15 mins
5 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 4,078,239 221,771 18.39 1 hrs 18 mins
6 Quadro RTX 6000/8000
TU102GL [Quadro RTX 6000/8000]
Nvidia TU102GL 3,480,667 201,427 17.28 1 hrs 23 mins
7 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 2,986,892 199,643 14.96 2 hrs 36 mins
8 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,977,248 200,164 14.87 2 hrs 37 mins
9 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 2,619,818 189,899 13.80 2 hrs 44 mins
10 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,569,062 190,497 13.49 2 hrs 47 mins
11 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,427,988 186,403 13.03 2 hrs 51 mins
12 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,097,915 176,449 11.89 2 hrs 1 mins
13 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 1,962,975 174,323 11.26 2 hrs 8 mins
14 GeForce RTX 3070 Mobile / Max-Q
GA104M [GeForce RTX 3070 Mobile / Max-Q]
Nvidia GA104M 1,848,570 171,130 10.80 2 hrs 13 mins
15 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,589,521 161,678 9.83 2 hrs 26 mins
16 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,587,624 161,450 9.83 2 hrs 26 mins
17 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,271,378 121,199 10.49 2 hrs 17 mins
18 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,257,189 148,820 8.45 3 hrs 50 mins
19 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 1,255,336 141,784 8.85 3 hrs 43 mins
20 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,252,904 147,605 8.49 3 hrs 50 mins
21 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,196,612 148,322 8.07 3 hrs 58 mins
22 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,166,077 143,115 8.15 3 hrs 57 mins
23 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,085,145 143,232 7.58 3 hrs 10 mins
24 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,053,279 140,283 7.51 3 hrs 12 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 1,037,289 139,922 7.41 3 hrs 14 mins
26 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 917,135 135,198 6.78 4 hrs 32 mins
27 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 730,740 125,929 5.80 4 hrs 8 mins
28 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 624,444 117,806 5.30 5 hrs 32 mins
29 P106-100
GP106 [P106-100]
Nvidia GP106 572,259 115,640 4.95 5 hrs 51 mins
30 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 499,363 110,392 4.52 5 hrs 18 mins
31 Radeon RX 5500/5500M / Pro 5500M
Navi 14 [Radeon RX 5500/5500M / Pro 5500M]
AMD Navi 14 450,357 104,002 4.33 6 hrs 33 mins
32 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 448,695 106,185 4.23 6 hrs 41 mins
33 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 442,621 106,215 4.17 6 hrs 46 mins
34 P106-090
GP106 [P106-090]
Nvidia GP106 290,334 92,202 3.15 8 hrs 37 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Sunday, 28 February 2021 12:55:56

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

Legal Information: This sites use is for entertainment purposes only and comes with no guarantees or warranties in its use or related to any data displayed, collected or calcuated. This site is not affilated with folding@home or any folding team or GPU / CPU company in any official capacity and is an enthusiast creation in support of folding@home and the users / teams folding data for the greater good.

Please Note: By using this site, and / or our chrome extension you understand that you may be periodically providing information such as your IP, stats regarding use of our site, and folding@home GPU / CPU model, Work Unit ID and PPD estimate data when using our Chrome extention to the site developer for site optimization and PPD related data displayed on the site.

IF YOU DO NOT WISH TO CONTRIBUTE DATA TO THE PPD DATABASE PLEASE UNINSTALL OUR PLUGIN/TOOLS AND DISCONTINUE USE OF THIS SITE IMMEDIATELY.