PROJECT #17323 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: 200,481
Core: OPENMM_22
Status: Public
PROJECT FOLDING PPD AVERAGES BY GPU
PPDDB data as of Monday, 25 January 2021 15:12:51
|
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 | 6,312,293 | 344,638 | 18.32 | 1 hrs 19 mins |
| 2 | GeForce RTX 3080 10GB / 20GB GA102 [GeForce RTX 3080 10GB / 20GB] |
Nvidia | GA102 | 5,195,854 | 322,050 | 16.13 | 1 hrs 29 mins |
| 3 | Radeon RX 6800/6800 XT / 6900 XT Navi 21 [Radeon RX 6800/6800 XT / 6900 XT] |
AMD | Navi 21 | 4,415,264 | 307,645 | 14.35 | 2 hrs 40 mins |
| 4 | GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448 |
Nvidia | TU102 | 4,286,257 | 304,012 | 14.10 | 2 hrs 42 mins |
| 5 | GeForce RTX 2080 Ti TU102 [GeForce RTX 2080 Ti] M 13448 |
Nvidia | TU102 | 3,969,284 | 297,378 | 13.35 | 2 hrs 48 mins |
| 6 | GeForce RTX 3070 GA104 [GeForce RTX 3070] |
Nvidia | GA104 | 3,197,486 | 275,930 | 11.59 | 2 hrs 4 mins |
| 7 | GeForce RTX 2080 Rev. A TU104 [GeForce RTX 2080 Rev. A] 10068 |
Nvidia | TU104 | 2,909,473 | 263,459 | 11.04 | 2 hrs 10 mins |
| 8 | GeForce RTX 3060 Ti GA104 [GeForce RTX 3060 Ti] |
Nvidia | GA104 | 2,828,378 | 265,062 | 10.67 | 2 hrs 15 mins |
| 9 | GeForce RTX 2080 Super TU104 [GeForce RTX 2080 SUPER] |
Nvidia | TU104 | 2,792,673 | 264,526 | 10.56 | 2 hrs 16 mins |
| 10 | GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] 8218 |
Nvidia | TU104 | 2,497,106 | 251,519 | 9.93 | 2 hrs 25 mins |
| 11 | GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380 |
Nvidia | GP102 | 2,374,338 | 250,817 | 9.47 | 3 hrs 32 mins |
| 12 | GeForce RTX 2070 Rev. A TU106 [GeForce RTX 2070 Rev. A] M 7465 |
Nvidia | TU106 | 2,283,409 | 238,538 | 9.57 | 3 hrs 30 mins |
| 13 | GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER] |
Nvidia | TU106 | 1,989,620 | 235,427 | 8.45 | 3 hrs 50 mins |
| 14 | GeForce RTX 2070 TU106 [GeForce RTX 2070] M 6497 |
Nvidia | TU106 | 1,977,770 | 236,451 | 8.36 | 3 hrs 52 mins |
| 15 | GeForce RTX 2080 TU104 [GeForce RTX 2080] |
Nvidia | TU104 | 1,815,186 | 220,659 | 8.23 | 3 hrs 55 mins |
| 16 | Quadro RTX 4000 TU104GL [Quadro RTX 4000] |
Nvidia | TU104GL | 1,666,583 | 222,956 | 7.47 | 3 hrs 13 mins |
| 17 | GeForce RTX 2060 TU104 [GeForce RTX 2060] |
Nvidia | TU104 | 1,641,619 | 221,956 | 7.40 | 3 hrs 15 mins |
| 18 | GeForce RTX 2060 TU106 [Geforce RTX 2060] |
Nvidia | TU106 | 1,588,511 | 218,904 | 7.26 | 3 hrs 18 mins |
| 19 | Radeon RX Vega 56/64 Vega 10 XL/XT [Radeon RX Vega 56/64] |
AMD | Vega 10 XL/XT | 1,444,782 | 212,600 | 6.80 | 4 hrs 32 mins |
| 20 | GeForce GTX 1080 GP104 [GeForce GTX 1080] 8873 |
Nvidia | GP104 | 1,318,816 | 206,276 | 6.39 | 4 hrs 45 mins |
| 21 | GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463 |
Nvidia | GP104 | 1,284,243 | 204,555 | 6.28 | 4 hrs 49 mins |
| 22 | GeForce GTX 1070 Ti GP104 [GeForce GTX 1070 Ti] 8186 |
Nvidia | GP104 | 1,194,564 | 194,911 | 6.13 | 4 hrs 55 mins |
| 23 | GeForce GTX 980 Ti GM200 [GeForce GTX 980 Ti] 5632 |
Nvidia | GM200 | 1,131,593 | 195,794 | 5.78 | 4 hrs 9 mins |
| 24 | GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER] |
Nvidia | TU116 | 1,122,378 | 195,696 | 5.74 | 4 hrs 11 mins |
| 25 | GeForce GTX 1660 Ti TU116 [GeForce GTX 1660 Ti] |
Nvidia | TU116 | 1,121,612 | 195,426 | 5.74 | 4 hrs 11 mins |
| 26 | Radeon RX 5600 OEM/5600 XT/5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT] |
AMD | Navi 10 | 1,085,429 | 192,306 | 5.64 | 4 hrs 15 mins |
| 27 | Radeon R9 Fury X Fiji XT [Radeon R9 Fury X] |
AMD | Fiji XT | 816,833 | 175,846 | 4.65 | 5 hrs 10 mins |
| 28 | GeForce GTX 1060 6GB GP106 [GeForce GTX 1060 6GB] 4372 |
Nvidia | GP106 | 707,028 | 167,339 | 4.23 | 6 hrs 41 mins |
| 29 | Radeon R9 200/300 Series Hawaii [Radeon R9 200/300 Series] |
AMD | Hawaii | 698,227 | 167,471 | 4.17 | 6 hrs 45 mins |
| 30 | GeForce GTX 1060 3GB GP106 [GeForce GTX 1060 3GB] 3935 |
Nvidia | GP106 | 694,659 | 166,100 | 4.18 | 6 hrs 44 mins |
| 31 | GeForce GTX 1070 GP104 [GeForce GTX 1070] |
Nvidia | GP104 | 671,580 | 164,084 | 4.09 | 6 hrs 52 mins |
| 32 | Radeon RX 5500/5500M / Pro 5500M Navi 14 [Radeon RX 5500/5500M / Pro 5500M] |
AMD | Navi 14 | 532,825 | 152,940 | 3.48 | 7 hrs 53 mins |
| 33 | P106-100 GP106 [P106-100] |
Nvidia | GP106 | 511,618 | 150,464 | 3.40 | 7 hrs 3 mins |
| 34 | Radeon RX 470/480/570/580/590 Ellesmere XT [Radeon RX 470/480/570/580/590] |
AMD | Ellesmere XT | 480,058 | 132,850 | 3.61 | 7 hrs 39 mins |
| 35 | GeForce GTX 1650 TU116 [GeForce GTX 1650] 2984 |
Nvidia | TU116 | 444,315 | 142,418 | 3.12 | 8 hrs 42 mins |
| 36 | Radeon R9 280/HD 7900/8950 Tahiti PRO [Radeon R9 280/HD 7900/8950] |
AMD | Tahiti PRO | 338,829 | 131,369 | 2.58 | 9 hrs 18 mins |
| 37 | GeForce GTX 1050 LP GP107 [GeForce GTX 1050 LP] 1862 |
Nvidia | GP107 | 258,301 | 118,448 | 2.18 | 11 hrs 0 mins |
| 38 | P106-090 GP106 [P106-090] |
Nvidia | GP106 | 227,762 | 115,199 | 1.98 | 12 hrs 8 mins |
| 39 | Quadro P1000 GP107GL [Quadro P1000] |
Nvidia | GP107GL | 213,757 | 112,405 | 1.90 | 13 hrs 37 mins |
| 40 | Radeon HD 7800 Pitcairn [Radeon HD 7800] |
AMD | Pitcairn | 177,724 | 106,116 | 1.67 | 14 hrs 20 mins |
PROJECT FOLDING PPD AVERAGES BY CPU BETA
PPDDB data as of Monday, 25 January 2021 15:12:52
|
Rank Project |
CPU Model |
Logical Processors (LP) |
PPD-PLP AVG PPD per 1 LP |
ALL LP-PPD (Estimated) |
Make |
|---|
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