PROJECT #17326 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 13:06:04
|
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 | 5,955,125 | 233,515 | 25.50 | 1 hrs 56 mins |
| 2 | GeForce RTX 3080 10GB / 20GB GA102 [GeForce RTX 3080 10GB / 20GB] |
Nvidia | GA102 | 5,414,374 | 226,687 | 23.88 | 1 hrs 0 mins |
| 3 | Radeon RX 6800/6800 XT / 6900 XT Navi 21 [Radeon RX 6800/6800 XT / 6900 XT] |
AMD | Navi 21 | 4,359,226 | 211,633 | 20.60 | 1 hrs 10 mins |
| 4 | GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448 |
Nvidia | TU102 | 4,304,340 | 210,669 | 20.43 | 1 hrs 10 mins |
| 5 | GeForce RTX 2080 Ti TU102 [GeForce RTX 2080 Ti] M 13448 |
Nvidia | TU102 | 3,637,245 | 199,696 | 18.21 | 1 hrs 19 mins |
| 6 | Quadro RTX 6000/8000 TU102GL [Quadro RTX 6000/8000] |
Nvidia | TU102GL | 3,305,412 | 191,285 | 17.28 | 1 hrs 23 mins |
| 7 | GeForce RTX 3070 GA104 [GeForce RTX 3070] |
Nvidia | GA104 | 3,217,504 | 190,675 | 16.87 | 1 hrs 25 mins |
| 8 | GeForce RTX 2080 Rev. A TU104 [GeForce RTX 2080 Rev. A] 10068 |
Nvidia | TU104 | 2,962,492 | 188,220 | 15.74 | 2 hrs 31 mins |
| 9 | GeForce RTX 2080 Super TU104 [GeForce RTX 2080 SUPER] |
Nvidia | TU104 | 2,716,641 | 180,688 | 15.03 | 2 hrs 36 mins |
| 10 | GeForce RTX 3060 Ti GA104 [GeForce RTX 3060 Ti] |
Nvidia | GA104 | 2,559,747 | 177,758 | 14.40 | 2 hrs 40 mins |
| 11 | GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] 8218 |
Nvidia | TU104 | 2,517,072 | 175,725 | 14.32 | 2 hrs 41 mins |
| 12 | GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380 |
Nvidia | GP102 | 2,386,772 | 173,534 | 13.75 | 2 hrs 45 mins |
| 13 | GeForce RTX 2080 TU104 [GeForce RTX 2080] |
Nvidia | TU104 | 2,353,620 | 171,821 | 13.70 | 2 hrs 45 mins |
| 14 | GeForce RTX 2070 Rev. A TU106 [GeForce RTX 2070 Rev. A] M 7465 |
Nvidia | TU106 | 2,159,490 | 165,685 | 13.03 | 2 hrs 50 mins |
| 15 | TITAN Xp GP102 [TITAN Xp] 12150 |
Nvidia | GP102 | 2,144,342 | 163,804 | 13.09 | 2 hrs 50 mins |
| 16 | GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER] |
Nvidia | TU106 | 1,993,663 | 162,936 | 12.24 | 2 hrs 58 mins |
| 17 | GeForce RTX 2060 TU104 [GeForce RTX 2060] |
Nvidia | TU104 | 1,665,079 | 153,849 | 10.82 | 2 hrs 13 mins |
| 18 | GeForce RTX 2060 TU106 [Geforce RTX 2060] |
Nvidia | TU106 | 1,649,940 | 153,237 | 10.77 | 2 hrs 14 mins |
| 19 | Quadro RTX 4000 TU104GL [Quadro RTX 4000] |
Nvidia | TU104GL | 1,613,928 | 152,560 | 10.58 | 2 hrs 16 mins |
| 20 | GeForce GTX 1080 GP104 [GeForce GTX 1080] 8873 |
Nvidia | GP104 | 1,360,851 | 143,905 | 9.46 | 3 hrs 32 mins |
| 21 | Radeon RX Vega 56/64 Vega 10 XL/XT [Radeon RX Vega 56/64] |
AMD | Vega 10 XL/XT | 1,352,444 | 142,685 | 9.48 | 3 hrs 32 mins |
| 22 | GeForce GTX 1070 Ti GP104 [GeForce GTX 1070 Ti] 8186 |
Nvidia | GP104 | 1,283,763 | 141,325 | 9.08 | 3 hrs 39 mins |
| 23 | GeForce RTX 2070 TU106 [GeForce RTX 2070] M 6497 |
Nvidia | TU106 | 1,281,568 | 138,216 | 9.27 | 3 hrs 35 mins |
| 24 | GeForce RTX 2060 Mobile TU106M [GeForce RTX 2060 Mobile] |
Nvidia | TU106M | 1,197,351 | 136,053 | 8.80 | 3 hrs 44 mins |
| 25 | GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463 |
Nvidia | GP104 | 1,154,271 | 134,303 | 8.59 | 3 hrs 48 mins |
| 26 | GeForce GTX 980 Ti GM200 [GeForce GTX 980 Ti] 5632 |
Nvidia | GM200 | 1,124,385 | 135,074 | 8.32 | 3 hrs 53 mins |
| 27 | GeForce GTX 1660 Ti TU116 [GeForce GTX 1660 Ti] |
Nvidia | TU116 | 1,117,841 | 134,059 | 8.34 | 3 hrs 53 mins |
| 28 | GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER] |
Nvidia | TU116 | 1,101,757 | 133,845 | 8.23 | 3 hrs 55 mins |
| 29 | Radeon RX 5600 OEM/5600 XT/5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT] |
AMD | Navi 10 | 1,028,561 | 130,039 | 7.91 | 3 hrs 2 mins |
| 30 | GeForce GTX 1060 6GB GP106 [GeForce GTX 1060 6GB] 4372 |
Nvidia | GP106 | 665,267 | 108,536 | 6.13 | 4 hrs 55 mins |
| 31 | P104-100 GP104 [P104-100] |
Nvidia | GP104 | 653,195 | 113,065 | 5.78 | 4 hrs 9 mins |
| 32 | GeForce GTX 1070 GP104 [GeForce GTX 1070] |
Nvidia | GP104 | 648,657 | 111,910 | 5.80 | 4 hrs 8 mins |
| 33 | GeForce GTX 1650 Ti Mobile TU116M [GeForce GTX 1650 Ti Mobile] |
Nvidia | TU116M | 627,030 | 111,436 | 5.63 | 4 hrs 16 mins |
| 34 | Radeon R9 200/300 Series Hawaii [Radeon R9 200/300 Series] |
AMD | Hawaii | 619,305 | 110,822 | 5.59 | 4 hrs 18 mins |
| 35 | Radeon RX 5500/5500M / Pro 5500M Navi 14 [Radeon RX 5500/5500M / Pro 5500M] |
AMD | Navi 14 | 587,105 | 108,835 | 5.39 | 4 hrs 27 mins |
| 36 | Radeon R9 Fury X Fiji XT [Radeon R9 Fury X] |
AMD | Fiji XT | 585,104 | 100,998 | 5.79 | 4 hrs 9 mins |
| 37 | GeForce GTX 1650 SUPER TU116 [GeForce GTX 1650 SUPER] |
Nvidia | TU116 | 576,244 | 108,713 | 5.30 | 5 hrs 32 mins |
| 38 | Radeon RX 470/480/570/580/590 Ellesmere XT [Radeon RX 470/480/570/580/590] |
AMD | Ellesmere XT | 570,217 | 106,880 | 5.34 | 4 hrs 30 mins |
| 39 | Quadro T2000 Mobile / Max-Q TU117GLM [Quadro T2000 Mobile / Max-Q] |
Nvidia | TU117GLM | 456,228 | 100,309 | 4.55 | 5 hrs 17 mins |
| 40 | Radeon R9 200/300X Series Hawaii [Radeon R9 200/300X Series] |
AMD | Hawaii | 437,326 | 98,425 | 4.44 | 5 hrs 24 mins |
| 41 | P106-100 GP106 [P106-100] |
Nvidia | GP106 | 434,341 | 98,632 | 4.40 | 5 hrs 27 mins |
| 42 | GeForce GTX 1650 TU116 [GeForce GTX 1650] 2984 |
Nvidia | TU116 | 431,169 | 97,907 | 4.40 | 5 hrs 27 mins |
| 43 | GeForce GTX 1060 3GB GP106 [GeForce GTX 1060 3GB] 3935 |
Nvidia | GP106 | 396,965 | 91,568 | 4.34 | 6 hrs 32 mins |
| 44 | Radeon R9 280/HD 7900/8950 Tahiti PRO [Radeon R9 280/HD 7900/8950] |
AMD | Tahiti PRO | 321,476 | 89,131 | 3.61 | 7 hrs 39 mins |
| 45 | P106-090 GP106 [P106-090] |
Nvidia | GP106 | 271,174 | 84,183 | 3.22 | 7 hrs 27 mins |
| 46 | Radeon R9 200/300 Series Tonga [Radeon R9 200/300 Series] |
AMD | Tonga | 220,846 | 75,026 | 2.94 | 8 hrs 9 mins |
| 47 | Radeon HD 7800 Pitcairn [Radeon HD 7800] |
AMD | Pitcairn | 175,420 | 72,598 | 2.42 | 10 hrs 56 mins |
| 48 | Radeon RX Vega M XL [Radeon RX Vega M XL] |
AMD | Vega | 167,370 | 61,065 | 2.74 | 9 hrs 45 mins |
| 49 | Ryzen 4900HS mobile Renoir [Ryzen 4900HS mobile] |
AMD | Renoir | 77,773 | 54,388 | 1.43 | 17 hrs 47 mins |
| 50 | Ryzen vega 8 mobile Raven [Ryzen vega 8 mobile] |
AMD | Raven | 54,633 | 49,344 | 1.11 | 22 hrs 41 mins |
| 51 | Radeon R7 250/HD 7700 R575A [Radeon R7 250/HD 7700] |
AMD | R575A | 37,186 | 39,713 | 0.94 | 26 hrs 38 mins |
PROJECT FOLDING PPD AVERAGES BY CPU BETA
PPDDB data as of Sunday, 28 February 2021 13:06:04
|
Rank Project |
CPU Model |
Logical Processors (LP) |
PPD-PLP AVG PPD per 1 LP |
ALL LP-PPD (Estimated) |
Make |
|---|
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