PROJECT #17327 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 Sunday, 28 February 2021 14:15:59
|
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 | 5,970,853 | 233,910 | 25.53 | 1 hrs 56 mins |
| 2 | GeForce RTX 3080 10GB / 20GB GA102 [GeForce RTX 3080 10GB / 20GB] |
Nvidia | GA102 | 5,435,710 | 226,803 | 23.97 | 1 hrs 0 mins |
| 3 | GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448 |
Nvidia | TU102 | 4,319,461 | 211,081 | 20.46 | 1 hrs 10 mins |
| 4 | Radeon RX 6800/6800 XT / 6900 XT Navi 21 [Radeon RX 6800/6800 XT / 6900 XT] |
AMD | Navi 21 | 4,318,891 | 211,519 | 20.42 | 1 hrs 11 mins |
| 5 | GeForce RTX 2080 Ti TU102 [GeForce RTX 2080 Ti] M 13448 |
Nvidia | TU102 | 3,634,078 | 199,706 | 18.20 | 1 hrs 19 mins |
| 6 | GeForce RTX 3070 GA104 [GeForce RTX 3070] |
Nvidia | GA104 | 3,245,268 | 191,974 | 16.90 | 1 hrs 25 mins |
| 7 | Quadro RTX 6000/8000 TU102GL [Quadro RTX 6000/8000] |
Nvidia | TU102GL | 2,961,018 | 182,103 | 16.26 | 1 hrs 29 mins |
| 8 | GeForce RTX 2080 Rev. A TU104 [GeForce RTX 2080 Rev. A] 10068 |
Nvidia | TU104 | 2,921,405 | 187,643 | 15.57 | 2 hrs 32 mins |
| 9 | GeForce RTX 2080 Super TU104 [GeForce RTX 2080 SUPER] |
Nvidia | TU104 | 2,713,753 | 180,506 | 15.03 | 2 hrs 36 mins |
| 10 | GeForce RTX 3060 Ti GA104 [GeForce RTX 3060 Ti] |
Nvidia | GA104 | 2,637,873 | 179,164 | 14.72 | 2 hrs 38 mins |
| 11 | GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] 8218 |
Nvidia | TU104 | 2,517,775 | 174,675 | 14.41 | 2 hrs 40 mins |
| 12 | GeForce RTX 2080 TU104 [GeForce RTX 2080] |
Nvidia | TU104 | 2,394,374 | 173,773 | 13.78 | 2 hrs 45 mins |
| 13 | GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380 |
Nvidia | GP102 | 2,391,676 | 173,846 | 13.76 | 2 hrs 45 mins |
| 14 | GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER] |
Nvidia | TU106 | 1,984,897 | 161,983 | 12.25 | 2 hrs 58 mins |
| 15 | GeForce RTX 2070 TU106 [GeForce RTX 2070] M 6497 |
Nvidia | TU106 | 1,868,243 | 159,996 | 11.68 | 2 hrs 3 mins |
| 16 | GeForce RTX 2060 TU104 [GeForce RTX 2060] |
Nvidia | TU104 | 1,666,472 | 153,937 | 10.83 | 2 hrs 13 mins |
| 17 | GeForce RTX 2060 TU106 [Geforce RTX 2060] |
Nvidia | TU106 | 1,629,818 | 152,863 | 10.66 | 2 hrs 15 mins |
| 18 | Quadro RTX 4000 TU104GL [Quadro RTX 4000] |
Nvidia | TU104GL | 1,610,037 | 152,385 | 10.57 | 2 hrs 16 mins |
| 19 | Radeon RX Vega 56/64 Vega 10 XL/XT [Radeon RX Vega 56/64] |
AMD | Vega 10 XL/XT | 1,475,389 | 147,796 | 9.98 | 2 hrs 24 mins |
| 20 | GeForce RTX 2070 Rev. A TU106 [GeForce RTX 2070 Rev. A] M 7465 |
Nvidia | TU106 | 1,453,129 | 128,398 | 11.32 | 2 hrs 7 mins |
| 21 | GeForce GTX 1080 GP104 [GeForce GTX 1080] 8873 |
Nvidia | GP104 | 1,345,045 | 143,361 | 9.38 | 3 hrs 33 mins |
| 22 | GeForce GTX 1070 Ti GP104 [GeForce GTX 1070 Ti] 8186 |
Nvidia | GP104 | 1,275,293 | 140,498 | 9.08 | 3 hrs 39 mins |
| 23 | GeForce RTX 2060 Mobile TU106M [GeForce RTX 2060 Mobile] |
Nvidia | TU106M | 1,199,576 | 138,205 | 8.68 | 3 hrs 46 mins |
| 24 | GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463 |
Nvidia | GP104 | 1,175,787 | 136,450 | 8.62 | 3 hrs 47 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 | 1,144,496 | 134,014 | 8.54 | 3 hrs 49 mins |
| 26 | GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER] |
Nvidia | TU116 | 1,111,512 | 134,057 | 8.29 | 3 hrs 54 mins |
| 27 | GeForce GTX 1660 Ti TU116 [GeForce GTX 1660 Ti] |
Nvidia | TU116 | 1,106,343 | 133,433 | 8.29 | 3 hrs 54 mins |
| 28 | GeForce GTX 980 Ti GM200 [GeForce GTX 980 Ti] 5632 |
Nvidia | GM200 | 1,029,900 | 131,410 | 7.84 | 3 hrs 4 mins |
| 29 | GeForce GTX 1060 6GB GP106 [GeForce GTX 1060 6GB] 4372 |
Nvidia | GP106 | 721,416 | 116,618 | 6.19 | 4 hrs 53 mins |
| 30 | P104-100 GP104 [P104-100] |
Nvidia | GP104 | 625,800 | 111,306 | 5.62 | 4 hrs 16 mins |
| 31 | Radeon R9 200/300 Series Hawaii [Radeon R9 200/300 Series] |
AMD | Hawaii | 619,466 | 104,566 | 5.92 | 4 hrs 3 mins |
| 32 | Radeon RX 5500/5500M / Pro 5500M Navi 14 [Radeon RX 5500/5500M / Pro 5500M] |
AMD | Navi 14 | 586,063 | 108,995 | 5.38 | 4 hrs 28 mins |
| 33 | GeForce GTX 1060 3GB GP106 [GeForce GTX 1060 3GB] 3935 |
Nvidia | GP106 | 562,131 | 107,473 | 5.23 | 5 hrs 35 mins |
| 34 | Radeon RX 470/480/570/580/590 Ellesmere XT [Radeon RX 470/480/570/580/590] |
AMD | Ellesmere XT | 532,677 | 102,933 | 5.17 | 5 hrs 38 mins |
| 35 | Quadro T2000 Mobile / Max-Q TU117GLM [Quadro T2000 Mobile / Max-Q] |
Nvidia | TU117GLM | 454,345 | 100,041 | 4.54 | 5 hrs 17 mins |
| 36 | P106-100 GP106 [P106-100] |
Nvidia | GP106 | 439,402 | 98,882 | 4.44 | 5 hrs 24 mins |
| 37 | GeForce GTX 1650 Mobile / Max-Q TU117M [GeForce GTX 1650 Mobile / Max-Q] |
Nvidia | TU117M | 434,431 | 98,732 | 4.40 | 5 hrs 27 mins |
| 38 | GeForce GTX 1650 TU116 [GeForce GTX 1650] 2984 |
Nvidia | TU116 | 432,336 | 98,218 | 4.40 | 5 hrs 27 mins |
| 39 | Radeon R9 200/300X Series Hawaii [Radeon R9 200/300X Series] |
AMD | Hawaii | 432,158 | 93,938 | 4.60 | 5 hrs 13 mins |
| 40 | GeForce GTX 1650 SUPER TU116 [GeForce GTX 1650 SUPER] |
Nvidia | TU116 | 371,234 | 64,654 | 5.74 | 4 hrs 11 mins |
| 41 | Radeon R9 280/HD 7900/8950 Tahiti PRO [Radeon R9 280/HD 7900/8950] |
AMD | Tahiti PRO | 323,415 | 89,230 | 3.62 | 7 hrs 37 mins |
| 42 | P106-090 GP106 [P106-090] |
Nvidia | GP106 | 272,471 | 84,321 | 3.23 | 7 hrs 26 mins |
| 43 | Radeon R9 200/300 Series Tonga [Radeon R9 200/300 Series] |
AMD | Tonga | 262,639 | 83,079 | 3.16 | 8 hrs 36 mins |
| 44 | Radeon R9 Fury X Fiji XT [Radeon R9 Fury X] |
AMD | Fiji XT | 244,620 | 63,638 | 3.84 | 6 hrs 15 mins |
| 45 | Radeon RX Vega M XL [Radeon RX Vega M XL] |
AMD | Vega | 179,388 | 64,259 | 2.79 | 9 hrs 36 mins |
| 46 | Radeon HD 7800 Pitcairn [Radeon HD 7800] |
AMD | Pitcairn | 178,077 | 73,403 | 2.43 | 10 hrs 54 mins |
| 47 | Radeon R7/R6 360 Series Bonaire [Radeon R7/R6 360 Series] |
AMD | Bonaire | 83,318 | 56,317 | 1.48 | 16 hrs 13 mins |
| 48 | Ryzen vega 8 mobile Raven [Ryzen vega 8 mobile] |
AMD | Raven | 54,831 | 49,384 | 1.11 | 22 hrs 37 mins |
PROJECT FOLDING PPD AVERAGES BY CPU BETA
PPDDB data as of Sunday, 28 February 2021 14:15:59
|
Rank Project |
CPU Model |
Logical Processors (LP) |
PPD-PLP AVG PPD per 1 LP |
ALL LP-PPD (Estimated) |
Make |
|---|
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