PROJECT #17329 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. 17329-331 replace 17316-8 (change from rectangular to truncated octahedron box) 17332-5 replace 17325-8 ((change from rectangular to truncated octahedron box).
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: 312,033
Core: OPENMM_22
Status: Public
PROJECT FOLDING PPD AVERAGES BY GPU
PPDDB data as of Monday, 23 May 2022 03:34:43
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 | 7,156,186 | 365,075 | 19.60 | 1 hrs 13 mins |
2 | GeForce RTX 3080 10GB / 20GB GA102 [GeForce RTX 3080 10GB / 20GB] |
Nvidia | GA102 | 5,834,477 | 342,584 | 17.03 | 1 hrs 25 mins |
3 | GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448 |
Nvidia | TU102 | 4,895,853 | 324,800 | 15.07 | 2 hrs 36 mins |
4 | Radeon RX 6800/6800 XT / 6900 XT Navi 21 [Radeon RX 6800/6800 XT / 6900 XT] |
AMD | Navi 21 | 4,687,196 | 315,327 | 14.86 | 2 hrs 37 mins |
5 | GeForce RTX 2080 Ti TU102 [GeForce RTX 2080 Ti] M 13448 |
Nvidia | TU102 | 4,617,909 | 318,559 | 14.50 | 2 hrs 39 mins |
6 | Quadro RTX 6000/8000 TU102GL [Quadro RTX 6000/8000] |
Nvidia | TU102GL | 4,198,476 | 307,996 | 13.63 | 2 hrs 46 mins |
7 | GeForce RTX 3070 GA104 [GeForce RTX 3070] |
Nvidia | GA104 | 3,302,673 | 283,279 | 11.66 | 2 hrs 4 mins |
8 | GeForce RTX 3060 Ti GA104 [GeForce RTX 3060 Ti] |
Nvidia | GA104 | 3,095,445 | 277,761 | 11.14 | 2 hrs 9 mins |
9 | GeForce RTX 2080 Super TU104 [GeForce RTX 2080 SUPER] |
Nvidia | TU104 | 2,967,394 | 275,365 | 10.78 | 2 hrs 14 mins |
10 | GeForce RTX 2080 Rev. A TU104 [GeForce RTX 2080 Rev. A] 10068 |
Nvidia | TU104 | 2,911,774 | 274,217 | 10.62 | 2 hrs 16 mins |
11 | GeForce RTX 2070 Rev. A TU106 [GeForce RTX 2070 Rev. A] M 7465 |
Nvidia | TU106 | 2,820,490 | 272,109 | 10.37 | 2 hrs 19 mins |
12 | GeForce RTX 2080 TU104 [GeForce RTX 2080] |
Nvidia | TU104 | 2,710,765 | 267,593 | 10.13 | 2 hrs 22 mins |
13 | GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] 8218 |
Nvidia | TU104 | 2,669,019 | 265,113 | 10.07 | 2 hrs 23 mins |
14 | GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER] |
Nvidia | TU106 | 2,308,925 | 252,535 | 9.14 | 3 hrs 37 mins |
15 | GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380 |
Nvidia | GP102 | 2,278,413 | 249,538 | 9.13 | 3 hrs 38 mins |
16 | GeForce RTX 3060 GA106 [GeForce RTX 3060] |
Nvidia | GA106 | 1,843,752 | 235,142 | 7.84 | 3 hrs 4 mins |
17 | GeForce RTX 2060 TU104 [GeForce RTX 2060] |
Nvidia | TU104 | 1,793,095 | 234,682 | 7.64 | 3 hrs 8 mins |
18 | Quadro RTX 4000 TU104GL [Quadro RTX 4000] |
Nvidia | TU104GL | 1,754,368 | 229,087 | 7.66 | 3 hrs 8 mins |
19 | GeForce RTX 2060 TU106 [Geforce RTX 2060] |
Nvidia | TU106 | 1,748,098 | 230,171 | 7.59 | 3 hrs 10 mins |
20 | GeForce RTX 2070 TU106 [GeForce RTX 2070] M 6497 |
Nvidia | TU106 | 1,716,215 | 231,439 | 7.42 | 3 hrs 14 mins |
21 | GeForce RTX 2060 Mobile TU106M [GeForce RTX 2060 Mobile] 4608 |
Nvidia | TU106M | 1,522,936 | 221,175 | 6.89 | 3 hrs 29 mins |
22 | GeForce GTX 1080 GP104 [GeForce GTX 1080] 8873 |
Nvidia | GP104 | 1,375,589 | 213,410 | 6.45 | 4 hrs 43 mins |
23 | GeForce GTX 1070 Ti GP104 [GeForce GTX 1070 Ti] 8186 |
Nvidia | GP104 | 1,368,858 | 213,388 | 6.41 | 4 hrs 44 mins |
24 | GeForce GTX 980 Ti GM200 [GeForce GTX 980 Ti] 5632 |
Nvidia | GM200 | 1,291,530 | 208,965 | 6.18 | 4 hrs 53 mins |
25 | GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463 |
Nvidia | GP104 | 1,283,895 | 208,549 | 6.16 | 4 hrs 54 mins |
26 | GeForce RTX 2060 Mobile / Max-Q TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550 |
Nvidia | TU106M | 1,221,349 | 205,618 | 5.94 | 4 hrs 2 mins |
27 | Radeon RX 5600 OEM/5600 XT/5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT] |
AMD | Navi 10 | 1,174,032 | 200,529 | 5.85 | 4 hrs 6 mins |
28 | GeForce RTX 2060 Mobile TU106M [GeForce RTX 2060 Mobile] |
Nvidia | TU106M | 1,146,529 | 191,562 | 5.99 | 4 hrs 1 mins |
29 | GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER] |
Nvidia | TU116 | 1,114,516 | 193,629 | 5.76 | 4 hrs 10 mins |
30 | GeForce GTX 1660 Ti TU116 [GeForce GTX 1660 Ti] |
Nvidia | TU116 | 1,004,274 | 192,039 | 5.23 | 5 hrs 35 mins |
31 | P104-100 GP104 [P104-100] |
Nvidia | GP104 | 970,640 | 190,304 | 5.10 | 5 hrs 42 mins |
32 | GeForce GTX 1660 TU116 [GeForce GTX 1660] |
Nvidia | TU116 | 941,490 | 188,490 | 4.99 | 5 hrs 48 mins |
33 | GeForce GTX 1060 6GB GP106 [GeForce GTX 1060 6GB] 4372 |
Nvidia | GP106 | 826,259 | 180,240 | 4.58 | 5 hrs 14 mins |
34 | GeForce GTX 1650 Ti Mobile TU116M [GeForce GTX 1650 Ti Mobile] |
Nvidia | TU116M | 680,752 | 168,612 | 4.04 | 6 hrs 57 mins |
35 | P106-100 GP106 [P106-100] |
Nvidia | GP106 | 614,750 | 163,430 | 3.76 | 6 hrs 23 mins |
36 | GeForce GTX 1060 3GB GP106 [GeForce GTX 1060 3GB] 3935 |
Nvidia | GP106 | 586,636 | 158,885 | 3.69 | 7 hrs 30 mins |
37 | Radeon RX 5500/5500M / Pro 5500M Navi 14 [Radeon RX 5500/5500M / Pro 5500M] |
AMD | Navi 14 | 513,270 | 153,568 | 3.34 | 7 hrs 11 mins |
38 | GeForce GTX 1650 Mobile / Max-Q TU117M [GeForce GTX 1650 Mobile / Max-Q] |
Nvidia | TU117M | 469,243 | 149,428 | 3.14 | 8 hrs 39 mins |
39 | GeForce GTX 1650 TU116 [GeForce GTX 1650] 2984 |
Nvidia | TU116 | 451,505 | 146,929 | 3.07 | 8 hrs 49 mins |
40 | Quadro T2000 Mobile / Max-Q TU117GLM [Quadro T2000 Mobile / Max-Q] |
Nvidia | TU117GLM | 449,696 | 137,454 | 3.27 | 7 hrs 20 mins |
41 | GeForce GTX 1650 SUPER TU116 [GeForce GTX 1650 SUPER] |
Nvidia | TU116 | 439,235 | 110,455 | 3.98 | 6 hrs 2 mins |
42 | P106-090 GP106 [P106-090] |
Nvidia | GP106 | 316,288 | 131,281 | 2.41 | 10 hrs 58 mins |
43 | Quadro P1000 GP107GL [Quadro P1000] |
Nvidia | GP107GL | 236,607 | 113,877 | 2.08 | 12 hrs 33 mins |
PROJECT FOLDING PPD AVERAGES BY CPU BETA
PPDDB data as of Monday, 23 May 2022 03:34:43
Rank Project |
CPU Model |
Logical Processors (LP) |
PPD-PLP AVG PPD per 1 LP |
ALL LP-PPD (Estimated) |
Make |
---|
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