PROJECT #17325 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: 143,492

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 6,001,867 234,418 25.60 1 hrs 56 mins
2 GeForce RTX 3080 10GB / 20GB
GA102 [GeForce RTX 3080 10GB / 20GB]
Nvidia GA102 5,430,827 227,478 23.87 1 hrs 0 mins
3 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,282,830 210,227 20.37 1 hrs 11 mins
4 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 4,216,214 208,899 20.18 1 hrs 11 mins
5 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 3,650,646 199,962 18.26 1 hrs 19 mins
6 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,238,821 191,439 16.92 1 hrs 25 mins
7 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 2,948,090 187,722 15.70 2 hrs 32 mins
8 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,672,250 178,246 14.99 2 hrs 36 mins
9 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,596,969 178,147 14.58 2 hrs 39 mins
10 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,550,028 177,261 14.39 2 hrs 40 mins
11 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,428,777 174,842 13.89 2 hrs 44 mins
12 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,383,326 173,341 13.75 2 hrs 45 mins
13 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,242,416 167,918 13.35 2 hrs 48 mins
14 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 1,989,458 162,788 12.22 2 hrs 58 mins
15 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,765,589 155,239 11.37 2 hrs 7 mins
16 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,732,021 156,276 11.08 2 hrs 10 mins
17 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,611,038 152,334 10.58 2 hrs 16 mins
18 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,595,108 150,427 10.60 2 hrs 16 mins
19 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,335,638 143,040 9.34 3 hrs 34 mins
20 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,260,472 140,250 8.99 3 hrs 40 mins
21 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,215,427 139,224 8.73 3 hrs 45 mins
22 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,135,331 133,527 8.50 3 hrs 49 mins
23 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,125,456 134,122 8.39 3 hrs 52 mins
24 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,121,629 134,045 8.37 3 hrs 52 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 1,112,581 133,352 8.34 3 hrs 53 mins
26 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,106,914 133,230 8.31 3 hrs 53 mins
27 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,078,952 133,223 8.10 3 hrs 58 mins
28 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 862,576 123,973 6.96 3 hrs 27 mins
29 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 724,647 116,783 6.21 4 hrs 52 mins
30 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 674,896 111,621 6.05 4 hrs 58 mins
31 P104-100
GP104 [P104-100]
Nvidia GP104 647,925 112,587 5.75 4 hrs 10 mins
32 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 645,475 112,660 5.73 4 hrs 11 mins
33 GeForce GTX 1070
GP104 [GeForce GTX 1070]
Nvidia GP104 640,727 112,467 5.70 4 hrs 13 mins
34 Radeon R9 200/300 Series
Hawaii [Radeon R9 200/300 Series]
AMD Hawaii 590,354 102,330 5.77 4 hrs 10 mins
35 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 523,064 98,808 5.29 5 hrs 32 mins
36 Radeon R9 200/300X Series
Hawaii [Radeon R9 200/300X Series]
AMD Hawaii 465,632 100,550 4.63 5 hrs 11 mins
37 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 458,606 100,239 4.58 5 hrs 15 mins
38 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 445,328 83,091 5.36 4 hrs 29 mins
39 P106-100
GP106 [P106-100]
Nvidia GP106 435,240 98,695 4.41 5 hrs 27 mins
40 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 434,002 98,043 4.43 5 hrs 25 mins
41 Radeon R9 280/HD 7900/8950
Tahiti PRO [Radeon R9 280/HD 7900/8950]
AMD Tahiti PRO 308,576 85,372 3.61 7 hrs 38 mins
42 P106-090
GP106 [P106-090]
Nvidia GP106 245,328 81,701 3.00 8 hrs 60 mins
43 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 207,197 75,832 2.73 9 hrs 47 mins
44 Radeon HD 7800
Pitcairn [Radeon HD 7800]
AMD Pitcairn 175,973 72,859 2.42 10 hrs 56 mins
45 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 144,573 68,247 2.12 11 hrs 20 mins
46 Ryzen 4900HS mobile
Renoir [Ryzen 4900HS mobile]
AMD Renoir 69,665 53,315 1.31 18 hrs 22 mins
47 Ryzen vega 8 mobile
Raven [Ryzen vega 8 mobile]
AMD Raven 65,973 50,630 1.30 18 hrs 25 mins
48 Radeon APU A4-6000 R2
Mullins [Radeon APU A4-6000 R2]
AMD Mullins 5,284 31,432 0.17 143 hrs 46 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