PROJECT #17324 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: 157,574

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Monday, 25 January 2021 14:04:41

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 6,478,611 252,489 25.66 1 hrs 56 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 5,163,865 233,199 22.14 1 hrs 5 mins
3 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,312,154 219,940 19.61 1 hrs 13 mins
4 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 3,703,626 209,146 17.71 1 hrs 21 mins
5 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,083,077 195,212 15.79 2 hrs 31 mins
6 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 3,056,406 197,092 15.51 2 hrs 33 mins
7 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,697,129 188,071 14.34 2 hrs 40 mins
8 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,656,861 186,067 14.28 2 hrs 41 mins
9 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,452,995 182,874 13.41 2 hrs 47 mins
10 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,424,407 181,216 13.38 2 hrs 48 mins
11 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,362,928 179,320 13.18 2 hrs 49 mins
12 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 1,965,902 168,845 11.64 2 hrs 4 mins
13 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,806,304 164,722 10.97 2 hrs 11 mins
14 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,664,005 160,808 10.35 2 hrs 19 mins
15 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,639,595 159,612 10.27 2 hrs 20 mins
16 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,527,325 155,725 9.81 2 hrs 27 mins
17 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,407,841 151,662 9.28 3 hrs 35 mins
18 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,202,567 141,908 8.47 3 hrs 50 mins
19 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,196,334 143,989 8.31 3 hrs 53 mins
20 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,118,240 139,965 7.99 3 hrs 0 mins
21 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,102,619 138,362 7.97 3 hrs 1 mins
22 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 952,452 135,592 7.02 3 hrs 25 mins
23 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 887,096 130,209 6.81 4 hrs 31 mins
24 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 658,920 117,734 5.60 4 hrs 17 mins
25 GeForce GTX 1650 Ti Mobile
TU116M [GeForce GTX 1650 Ti Mobile]
Nvidia TU116M 617,073 115,340 5.35 4 hrs 29 mins
26 GeForce GTX 1070
GP104 [GeForce GTX 1070]
Nvidia GP104 600,716 114,032 5.27 5 hrs 33 mins
27 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 549,779 110,054 5.00 5 hrs 48 mins
28 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 528,165 109,527 4.82 5 hrs 59 mins
29 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 463,709 82,435 5.63 4 hrs 16 mins
30 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 461,507 104,819 4.40 5 hrs 27 mins
31 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 437,917 103,675 4.22 6 hrs 41 mins
32 Radeon R9 280/HD 7900/8950
Tahiti PRO [Radeon R9 280/HD 7900/8950]
AMD Tahiti PRO 297,677 90,785 3.28 7 hrs 19 mins
33 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 296,564 90,274 3.29 7 hrs 18 mins
34 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 144,954 58,934 2.46 10 hrs 45 mins
35 Radeon R7 250/HD 7700
R575A [Radeon R7 250/HD 7700]
AMD R575A 43,216 47,718 0.91 27 hrs 30 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Monday, 25 January 2021 14:04:41

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

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