PROJECT #17308 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: these projects are replacing 17304-6, as 17304-6 had to be stopped due to work server issues.
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: 158,384
Core: OPENMM_22
Status: Public
PROJECT FOLDING PPD AVERAGES BY GPU
PPDDB data as of Tuesday, 07 February 2023 12:14:58
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 | 6,544,556 | 206,338 | 31.72 | 0 hrs 45 mins |
2 | GeForce RTX 3080 10GB / 20GB GA102 [GeForce RTX 3080 10GB / 20GB] |
Nvidia | GA102 | 4,808,498 | 186,780 | 25.74 | 0 hrs 56 mins |
3 | TITAN RTX TU102 [TITAN RTX] 16310 |
Nvidia | TU102 | 4,772,519 | 188,195 | 25.36 | 0 hrs 57 mins |
4 | GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448 |
Nvidia | TU102 | 4,683,709 | 186,456 | 25.12 | 0 hrs 57 mins |
5 | GeForce RTX 2080 Ti TU102 [GeForce RTX 2080 Ti] M 13448 |
Nvidia | TU102 | 3,776,453 | 173,824 | 21.73 | 1 hrs 6 mins |
6 | Quadro RTX 6000/8000 TU102GL [Quadro RTX 6000/8000] |
Nvidia | TU102GL | 3,448,598 | 169,583 | 20.34 | 1 hrs 11 mins |
7 | GeForce RTX 3070 GA104 [GeForce RTX 3070] |
Nvidia | GA104 | 3,377,624 | 165,817 | 20.37 | 1 hrs 11 mins |
8 | GeForce RTX 2080 Super TU104 [GeForce RTX 2080 SUPER] |
Nvidia | TU104 | 3,030,425 | 161,875 | 18.72 | 1 hrs 17 mins |
9 | GeForce RTX 2080 TU104 [GeForce RTX 2080] |
Nvidia | TU104 | 2,913,214 | 160,228 | 18.18 | 1 hrs 19 mins |
10 | TITAN Xp GP102 [TITAN Xp] 12150 |
Nvidia | GP102 | 2,780,461 | 157,837 | 17.62 | 1 hrs 22 mins |
11 | GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] |
Nvidia | TU104 | 2,604,085 | 154,400 | 16.87 | 1 hrs 25 mins |
12 | GeForce RTX 2080 Rev. A TU104 [GeForce RTX 2080 Rev. A] 10068 |
Nvidia | TU104 | 2,593,172 | 148,060 | 17.51 | 1 hrs 22 mins |
13 | GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] 8218 |
Nvidia | TU104 | 2,393,815 | 146,694 | 16.32 | 1 hrs 28 mins |
14 | GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380 |
Nvidia | GP102 | 2,165,141 | 144,667 | 14.97 | 2 hrs 36 mins |
15 | GeForce RTX 2070 Rev. A TU106 [GeForce RTX 2070 Rev. A] M 7465 |
Nvidia | TU106 | 2,094,564 | 142,736 | 14.67 | 2 hrs 38 mins |
16 | GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER] |
Nvidia | TU106 | 2,053,146 | 141,467 | 14.51 | 2 hrs 39 mins |
17 | GeForce RTX 2080 SUPER Mobile / Max-Q TU104M [GeForce RTX 2080 SUPER Mobile / Max-Q] |
Nvidia | TU104M | 1,980,316 | 140,895 | 14.06 | 2 hrs 42 mins |
18 | GeForce RTX 2060 KO TU106-200A [GeForce RTX 2060] |
Nvidia | TU106-200A | 1,873,830 | 138,475 | 13.53 | 2 hrs 46 mins |
19 | GeForce RTX 2060 TU104 [GeForce RTX 2060] |
Nvidia | TU104 | 1,841,485 | 137,211 | 13.42 | 2 hrs 47 mins |
20 | Quadro RTX 4000 TU104GL [Quadro RTX 4000] |
Nvidia | TU104GL | 1,693,732 | 133,918 | 12.65 | 2 hrs 54 mins |
21 | GeForce RTX 2070 TU106 [GeForce RTX 2070] M 6497 |
Nvidia | TU106 | 1,662,263 | 131,479 | 12.64 | 2 hrs 54 mins |
22 | GeForce RTX 2060 TU106 [Geforce RTX 2060] |
Nvidia | TU106 | 1,591,970 | 130,587 | 12.19 | 2 hrs 58 mins |
23 | Radeon VII Vega 20 [Radeon VII] 13,284 |
AMD | Vega 20 | 1,512,889 | 128,861 | 11.74 | 2 hrs 3 mins |
24 | GeForce GTX 1080 GP104 [GeForce GTX 1080] 8873 |
Nvidia | GP104 | 1,472,020 | 126,058 | 11.68 | 2 hrs 3 mins |
25 | GeForce GTX 1070 Ti GP104 [GeForce GTX 1070 Ti] 8186 |
Nvidia | GP104 | 1,307,670 | 122,276 | 10.69 | 2 hrs 15 mins |
26 | GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463 |
Nvidia | GP104 | 1,189,615 | 117,869 | 10.09 | 2 hrs 23 mins |
27 | GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER] |
Nvidia | TU116 | 1,135,260 | 116,821 | 9.72 | 2 hrs 28 mins |
28 | GeForce GTX 980 Ti GM200 [GeForce GTX 980 Ti] 5632 |
Nvidia | GM200 | 1,125,021 | 116,260 | 9.68 | 2 hrs 29 mins |
29 | Radeon RX Vega 56/64 Vega 10 XL/XT [Radeon RX Vega 56/64] |
AMD | Vega 10 XL/XT | 1,022,859 | 112,682 | 9.08 | 3 hrs 39 mins |
30 | Radeon RX 5600/5600 XT - 5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT / 5700/5700 XT] |
AMD | Navi 10 | 920,009 | 108,296 | 8.50 | 3 hrs 50 mins |
31 | GeForce RTX 2060 Mobile / Max-Q TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550 |
Nvidia | TU106M | 886,159 | 107,310 | 8.26 | 3 hrs 54 mins |
32 | GeForce GTX 1660 TU116 [GeForce GTX 1660] |
Nvidia | TU116 | 857,734 | 106,896 | 8.02 | 3 hrs 59 mins |
33 | P104-100 GP104 [P104-100] |
Nvidia | GP104 | 681,532 | 98,839 | 6.90 | 3 hrs 29 mins |
34 | GeForce GTX 1060 6GB GP106 [GeForce GTX 1060 6GB] 4372 |
Nvidia | GP106 | 672,165 | 98,102 | 6.85 | 4 hrs 30 mins |
35 | GeForce GTX 1060 3GB GP106 [GeForce GTX 1060 3GB] 3935 |
Nvidia | GP106 | 634,613 | 94,349 | 6.73 | 4 hrs 34 mins |
36 | GeForce GTX 1650 SUPER TU116 [GeForce GTX 1650 SUPER] |
Nvidia | TU116 | 577,286 | 93,584 | 6.17 | 4 hrs 53 mins |
37 | Quadro P2200 GP106GL [Quadro P2200] |
Nvidia | GP106GL | 504,105 | 89,333 | 5.64 | 4 hrs 15 mins |
38 | GeForce GTX 1650 TU116 [GeForce GTX 1650] 2984 |
Nvidia | TU116 | 479,822 | 87,720 | 5.47 | 4 hrs 23 mins |
39 | P106-100 GP106 [P106-100] |
Nvidia | GP106 | 471,532 | 87,487 | 5.39 | 4 hrs 27 mins |
40 | Radeon R9 Fury X Fiji XT [Radeon R9 Fury X] |
AMD | Fiji XT | 457,165 | 86,548 | 5.28 | 5 hrs 33 mins |
41 | Radeon RX 470/480/570/580/590 Ellesmere XT [Radeon RX 470/480/570/580/590] |
AMD | Ellesmere XT | 442,217 | 85,416 | 5.18 | 5 hrs 38 mins |
42 | Radeon R9 200/300X Series Hawaii [Radeon R9 200/300X Series] |
AMD | Hawaii | 417,159 | 83,549 | 4.99 | 5 hrs 48 mins |
43 | GeForce GTX 1050 Ti GP107 [GeForce GTX 1050 Ti] 2138 |
Nvidia | GP107 | 382,378 | 81,512 | 4.69 | 5 hrs 7 mins |
44 | Radeon R9 200/300 Series Hawaii [Radeon R9 200/300 Series] |
AMD | Hawaii | 330,280 | 75,739 | 4.36 | 6 hrs 30 mins |
45 | P106-090 GP106 [P106-090] |
Nvidia | GP106 | 311,326 | 76,162 | 4.09 | 6 hrs 52 mins |
46 | Quadro T1000 Mobile TU117GLM [Quadro T1000 Mobile] |
Nvidia | TU117GLM | 282,318 | 73,840 | 3.82 | 6 hrs 17 mins |
47 | Radeon R9 280/HD 7900/8950 Tahiti PRO [Radeon R9 280/HD 7900/8950] |
AMD | Tahiti PRO | 231,157 | 67,787 | 3.41 | 7 hrs 2 mins |
48 | Radeon RX 460 Baffin XT [Radeon RX 460] |
AMD | Baffin XT | 162,083 | 61,531 | 2.63 | 9 hrs 7 mins |
49 | Radeon R9 200 Series Hawaii [Radeon R9 200 Series] |
AMD | Hawaii | 157,050 | 60,458 | 2.60 | 9 hrs 14 mins |
50 | Polaris11 Baffin [Polaris11] |
AMD | Baffin | 139,365 | 58,313 | 2.39 | 10 hrs 3 mins |
51 | Radeon HD 7800 Pitcairn [Radeon HD 7800] |
AMD | Pitcairn | 134,039 | 57,507 | 2.33 | 10 hrs 18 mins |
52 | Radeon RX Vega M XL [Radeon RX Vega M XL] |
AMD | Vega | 126,286 | 54,177 | 2.33 | 10 hrs 18 mins |
53 | Radeon RX Vega gfx902 raven [Radeon RX Vega gfx902] |
AMD | raven | 27,491 | 33,949 | 0.81 | 30 hrs 38 mins |
PROJECT FOLDING PPD AVERAGES BY CPU BETA
PPDDB data as of Tuesday, 07 February 2023 12:14:58
Rank Project |
CPU Model |
Logical Processors (LP) |
PPD-PLP AVG PPD per 1 LP |
ALL LP-PPD (Estimated) |
Make |
---|